M+M3+2As(HAsO4)6 (M+M3+ = TlGa, CsGa, CsAl): three new metal arsenates containing AsO6 octa-hedra.

The crystal structures of hydro-thermally synthesized (T = 493 K, 7 d) thallium(I) digallium arsenic(V) hexa-kis-[hydrogenarsenate(V)], TlGa2As(HAsO4)6, caes-ium digallium arsenic(V) hexa-kis-[hydrogenarsenate(V)], CsGa2As(HAsO4)6, and caesium dialuminium arsenic(V) hexa-kis-[hydrogenarsenate(V)], CsAl2As(HAsO4)6, were solved by single-crystal X-ray diffraction. The three compounds are isotypic and adopt the structure type of RbAl2As(HAsO4)6 (Rc), which itself represents a modification of the RbFe(HPO4)2 structure type and consists of a tetra-hedral-octa-hedral framework in which the slightly disordered M+ cations are located in channels. The three new compounds contain AsO6 octa-hedra assuming the topological role of M3+O6 octa-hedra. The As-O bond lengths are among the shortest As-O bond lengths known so far in AsO6 octa-hedra.

Chemical context

Compounds with mixed tetra­hedral–octa­hedral (T–O) framework structures feature a broad range of different atomic arrangements, resulting in topologies with various inter­esting properties such as ion exchange (Masquelier et al., 1996 ▸) and ion conductivity (Chouchene et al., 2017 ▸), as well as unusual piezoelectric (Ren et al., 2015 ▸), magnetic (Ouerfelli et al., 2007 ▸) or non-linear optical features (frequency doubling) (Sun et al., 2017 ▸).

The three new compounds were obtained during an extensive experimental study of the system M +–M 3+–O–(H)–As5+ (M + = Li, Na, K, Rb, Cs, Ag, Tl, NH4; M 3+ = Al, Ga, In, Sc, Fe, Cr, Tl). This system was found to contain representatives of a large variety of new structure types (Schwendtner & Kolitsch, 2004 ▸, 2005 ▸, 2007a ▸,b ▸,c ▸, 2017a ▸, 2018a ▸; Schwendtner, 2006 ▸).

Among the many different structure types found during our study, one atomic arrangement, the RbFe(HPO4)2-type (Lii & Wu, 1994 ▸; R c), and relatives thereof (Schwendtner & Kolitsch, 2018a ▸) was observed to show a large crystal–chemical flexibility that allows the incorporation of a wide variety of cations. The three title compounds, TlGa2As(H­AsO4)6, CsGa2As(HAsO4)6 and CsAl2As(HAsO4)6 are further representatives of one of these recently described variations of the RbFe(HPO4)2 type, viz. the RbAl2As(H­AsO4)6 type (Schwendtner & Kolitsch, 2018a ▸). It also crystallizes in R c and up to now members with RbAl and CsFe (Schwendtner & Kolitsch, 2018a ▸) and RbGa (Schwendtner & Kolitsch, 2018c ▸) as M + M 3+ cation combinations are known (Table 1 ▸). While all previously known M + M 3+ combinations adopting this structure type also have representatives adopting the RbFe(HPO4)2 type, this is not the case for the three new members.

Table 1

Comparison of unit-cell parameters (Å, Å3) for the six known isotypic compounds

Compound	a	c	V
TlGa2As(HAsO4)6	8.484 (1)	50.724 (11)	3161.9 (10)
RbGa2As(HAsO4)6	8.491 (1)	50.697 (11)	3165.4 (10)
CsGa2As(HAsO4)6	8.520 (1)	50.608 (11)	3181.4 (10)
RbAl2As(HAsO4)6	8.410 (1)	50.287 (11)	3080.2 (10)
CsAl2As(HAsO4)6	8.439 (1)	50.169 (11)	3094.2 (10)
CsFe2As(HAsO4)6	8.582 (1)	50.942 (11)	3249.3 (10)

The title compounds are rare examples of compounds containing AsO6 octa­hedra. According to our review article, only about 3% of all reported arsenates(V) contain AsO6 polyhedra (Schwendtner & Kolitsch, 2007a ▸). Presently (Schwendtner & Kolitsch, 2018a ▸), 41 inorganic compounds containing As in an octa­hedral coordination are known, including the recently published RbGa2As(HAsO4)6 (Schwendtner & Kolitsch, 2018c ▸) and the three new compounds of this study. While no arsenates(V) containing both Tl and Ga are known in the ICSD (FIZ, 2018 ▸) so far, there are two arsenates(V) containing both Cs and Ga, namely Cs2Ga3(As3O10)(AsO4)2 (Lin & Lii, 1996 ▸) and CsGa(H1.5AsO4)2(H2AsO4) (Schwendtner & Kolitsch, 2005 ▸), and one arsenate(V) containing both Cs and Al, CsAl(H2AsO4)(HAsO4) (Schwendtner & Kolitsch, 2007b ▸). In addition to the crystal structures contained in the ICSD, an indexed powder diffraction pattern of the diarsenate CsAlAs2O7 has been published (Boughzala & Jouini, 1992 ▸).

Structural commentary

The three title compounds are isotypic and new representatives of the RbAl2As(HAsO4)6-structure type (R c; Schwendtner & Kolitsch, 2018a ▸), which is a recently described variation of the RbFe(HPO4)2 structure type (R c; Lii & Wu, 1994 ▸) and closely related to the following two structure types: (NH4)Fe(HPO4)2 (P ; Yakubovich, 1993 ▸) and RbAl(HAsO4)2 (R32; Schwendtner & Kolitsch, 2018a ▸). The reader is referred to our latest papers for a detailed discussion of the four related structure types (Schwendtner & Kolitsch, 2018a ▸) and a review of compounds crystallizing in the RbFe(HPO4)2 and (NH4)Fe(HPO4)2 structure types (Schwendtner & Kolitsch, 2018b ▸). All of these modifications share a basic tetra­hedral–octa­hedral framework structure featuring inter­penetrating channels, which host the M + cations (Figs. 1 ▸, 2 ▸). The fundamental building unit in all these structure types contains M 3+O6 octa­hedra, which are connected via their six corners to six protonated AsO4 tetra­hedra, thereby forming an M 3+As6O24 unit (Fig. 3 ▸). These units are in turn connected via three corners to other M 3+O6 octa­hedra. The free, protonated corner of each AsO4 tetra­hedron forms a hydrogen bond to the neighbouring M 3+As6O24 group (Table 2 ▸). The M 3+As6O24 units are arranged in layers perpendicular to the c hex axis (Fig. 2 ▸). When compared to the RbFe(HPO4)2 structure type, in TlGa2As(HAsO4)6, CsGa2As(HAsO4)6 and CsAl2As(HAsO4)6 one third of all M 3+ cations are replaced by As5+. This requires that two thirds of all M + cations are omitted to achieve charge balance.

Figure 1

Structure drawing of the framework structure of TlGa2As(HAsO4)6 viewed along a. The unit cell is outlined.

Figure 2

Structure drawing of TlGa2As(HAsO4)6 viewed along c. Red octa­hedra = AsO6, blue–green octa­hedra = GaO6, yellow tetra­hedra = AsO4; hydrogen atoms are shown as small grey spheres. Hydrogen bonds are shown as blue lines (solid for D—H and dotted for H⋯A). For the three disordered Tl positions, the displacement parameters are drawn at the 80% probability level. The unit cell is outlined.

Figure 3

Comparison of the Cs atom disorder, Cs—O bonds and hydrogen-bonding scheme in (a) CsGa2As(HAsO4)6 and (b) CsAl2As(HAsO4)6, viewed along c. Displacement ellipsoids for Cs are drawn at the 80% probability level.

Table 2

Hydrogen-bond geometry (Å, °) for CsAl2As(HAsO4)6, CsGa2As(HAsO4)6 and TlGa2As(HAsO4)6

	D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
CsAl2As(HAsO4)6	O3—H⋯O4xiv	0.875 (19)	1.94 (2)	2.7321 (18)	150 (3)
CsGa2As(HAsO4)6	O3—H⋯O4xiv	0.861 (18)	1.93 (2)	2.727 (2)	154 (3)
TlGa2As(HAsO4)6	O3—H⋯O4xiv	0.871 (19)	1.94 (3)	2.728 (2)	150 (4)

Symmetry code: (xiv) y, x − 1, −z + .

Like many other and all isotypic compounds containing AsO6 octa­hedra, the three title compounds were grown by ‘dry’ hydro­thermal techniques (using arsenic acid without the addition of water). The extreme abundance of As during the synthesis and the formation of a melt of arsenic acid promotes the octa­hedral coordination of As. As a result of the smaller ionic radius of As5+ this substitution also has an effect on the unit-cell parameters (Table 3 ▸) and the pore diameter. While the lengths of the c axis of all so far known RbFe(HPO4)2-type arsenates range from 52.87 (1) to 56.99 (1) Å (Schwendtner and Kolitsch, 2018b ▸) and correlate well with the sizes of the involved M + and M 3+ cations, the length of this axis in the RbAl2As(HAsO4)6-type compounds is much smaller and the range of lengths much narrower [50.17 (1)–50.94 (1) Å, see Table 1 ▸]. The c unit-cell parameter correlates with the size of the involved M 3+ cation, while the M + cations seem to show a negative correlation with the c parameter (Table 1 ▸). The unit-cell parameters a and V correlate well with the size of both cations, but the influence of the M + cations is stronger. It seems that in order to incorporate the small AsO6 octa­hedron in the structure the cell widens along the a axis to incorporate the large M + cations and is strongly compressed along c. This effect is also visible in the hydrogen bonds that are very strong in the RbFe(HPO4)2-type arsenates with D—H⋯A bond lengths ranging from 2.598 (2) to 2.634 (2) Å, while for the RbAl2As(HAsO4)6-type arsenates they range from 2.727 (2) to 2.7481 (19) Å (Schwendtner & Kolitsch, 2017b ▸, 2018a ▸,b ▸,c ▸; this paper).

Table 3

Comparison of selected bond lengths (Å) and BVSs for CsAl2As(HAsO4)6, CsGa2As(HAsO4)6 and TlGa2As(HAsO4)6

	CsAl2As(HAsO4)6	CsGa2As(HAsO4)6	TlGa2As(HAsO4)6
M +1A—O2 (6×)	3.4707 (12)	3.4719 (15)	3.4419 (15)
M +1A—O3 (6×)	3.4066 (16)	3.4829 (19)	3.4358 (19)
<M+1A—O>/BVS	3.439/0.75	3.477/0.68	3.439/0.46
M 3+—O2 (3×)	1.8933 (13)	1.9612 (15)	1.9648 (14)
M 3+—O4 (3×)	1.8963 (12)	1.9679 (15)	1.9609 (14)
<M3+—O>/BVS	1.895/3.07	1.965/3.09	1.963/3.11
[6]As—O (6×)	1.8104 (11)	1.8109 (14)	1.8062 (14)
<[6]As—O>/BVS	1.810/5.27	1.811/5.27	1.806/5.34
[4]As—O1	1.7094 (12)	1.7089 (14)	1.7094 (14)
[4]As—O2	1.6641 (11)	1.6646 (14)	1.6641 (14)
[4]As—O4	1.6639 (12)	1.6670 (15)	1.6672 (14)
[4]As—O3(H)	1.7108 (13)	1.7125 (17)	1.7115 (16)
<[4]As—O>/BVS	1.687/5.00	1.688/4.98	1.688/4.99

Note: (a) Gagné & Hawthorne (2015 ▸).

In all three title compounds, the M + cations are 12-coord­in­ated (Figs. 3 ▸, 4 ▸), and the average M +—O bond lengths (Table 3 ▸) are longer than the average bond lengths of M +O12 polyhedra of 3.377 Å for Cs (Gagné & Hawthorne, 2016 ▸) and 3.195 Å for Tl+ (Gagné & Hawthorne, 2018 ▸), thus leading to rather low bond-valence sums (BVSs) (Gagné & Hawthorne, 2015 ▸) of only 0.46–0.75 valence units (v.u.). The lowest BVS sum was found for [12]Tl, which shows an extremely long average Tl—O bond length (3.439 Å), considerably longer than the longest previously reported value in the literature, 3.304 Å (Gagné & Hawthorne, 2018 ▸). Considering the positions of the disordered Tl-atom positions, the BVSs would increase to 0.54 (Tl1B) and 0.68 v.u. (Tl1C).

Figure 4

Tl positional disorder and Tl—O bonding scheme for TlGa2As(HAsO4)6 viewed along a (a) and c (b). Displacement ellipsoids for Tl are drawn at the 80% probability level.

These loose bondings lead to considerable positional disorder of the M + cations in their hosting voids, which were modelled by two overlapping Cs positions between 0.15 (2) and 0.25 (5) Å apart (Fig. 3 ▸). The main Cs-atom electron densities with 62 and 72% for the Al- and Ga-containing compounds, respectively, are located on the central position Cs1A. For the Tl compound, only 33% of the electron-density distribution is explained by the central Tl1A position, 36% by the next nearest position Tl1B 0.407 (7) Å away and 27% by the furthest Tl1C position 0.766 (9) Å apart from the central position – so three positions for Tl were needed to get a good fit explaining the electron-density distribution (Fig. 4 ▸). The effect of slightly disordered M + cations in this type of compound is well known and was found for most of the previously cited compounds crystallizing in these related structure types; in TlGa2As(HAsO4)6 the positional disorder shows its most extreme form, probably as a result of the influence of the lone electron pair on the Tl+ cation.

In contrast to the underbonded M + cations the AsO6 octa­hedra are overbonded. The six As—O distances in each of these isotypic compounds are identical and among the shortest of all known AsO6-containing compounds. TlGa2As(HAsO4)6 shows the shortest average [6]As—O distance known so far of 1.806 Å, leading to rather high BVSs of 5.34 v.u. (after Gagné & Hawthorne, 2015 ▸). The grand mean As—O bond distance in AsO6 octa­hedra in inorganic compounds is 1.830 (2) Å according to Schwendtner & Kolitsch (2007a ▸); this value was determined from 33 AsO6 octa­hedra of 31 compounds. Gagné & Hawthorne (2018 ▸) determined an identical, but less precise, value of 1.83 (3) Å, based on only 13 AsO6 octa­hedra in AsO6-containing compounds.

A further, indirect effect of the substituting AsO6 octa­hedra is a notable change in the As—O distances of the protonated AsO4 tetra­hedra. The average As—O distance in these AsO4 tetra­hedra, with values between 1.687 and 1.688 Å, is slightly larger in all three compounds than the statistical average of 1.686 (10) Å (Schwendtner, 2008 ▸). The BVSs (Gagné & Hawthorne, 2015 ▸) are close to ideal values (4.98–5.00 v.u.). The AsO4 tetra­hedra have two short bond lengths to connected M 3+O6 octa­hedra, but the [4]As—O bond length of the O atom shared with the AsO6 octa­hedra is elongated (Table 3 ▸) because of [4]As—O—[6]As repulsion. The [4]As—O⋯H bond is therefore shorter than the average distance of As—O⋯H bonds in HAsO4 groups [1.72 (3) Å; Schwendtner, 2008 ▸].

The average M 3+—O bond lengths of the octa­hedrally coordinated Ga cations (1.963–1.965 Å) and Al cations (1.895 Å) are slightly shorter than the grand mean averages of 1.978 (17) and 1.903 (14) Å for [6]Ga—O and [6]Al—O, respectively (Gagné & Hawthorne, 2018 ▸), explaining the slightly higher corresponding BVSs of 3.07 to 3.11 v.u.

Synthesis and crystallization

The compounds were grown by hydro­thermal synthesis at 493 K (7 d, autogeneous pressure, slow furnace cooling) using Teflon-lined stainless steel autoclaves with an approximate filling volume of 2 cm3. Reagent-grade Cs2CO3, Tl2CO3, Ga2O3, Al2O3 and H3AsO4·0.5H2O were used as starting reagents in approximate volume ratios of M +:M 3+:As of 1:1:3, 1:2:4 and 1:1:2 for the TlGa-, CsGa- and CsAl-synthesis batches, respectively. No additional water was added and arsenic acid was present in excess to promote the growth of crystals from a melt or even vapor of arsenic acid under extremely acidic conditions. All three compounds formed large, colourless, pseudo-octa­hedral crystals, TlGa2As(HAsO4)6 was accompanied by colourless, acicular-to-prismatic crystals of Ga(H2AsO4)(H2As2O7) (Schwendtner & Kolitsch, 2017a ▸). All crystals were extracted mechanically and not further washed; they are slightly hygroscopic and decompose slowly over a period of several years.

Refinement

Crystal data, data collection and structure refinement details are summarized in Table 4 ▸.

Table 4

Experimental details

	CsAl2As(HAsO4)6	CsGa2As(HAsO4)6	TlGa2As(HAsO4)6
Crystal data
M r	1101.36	1186.84	1258.30
Crystal system, space group	Trigonal, R c:H	Trigonal, R c:H	Trigonal, R c:H
Temperature (K)	293	293	293
a, c (Å)	8.439 (1), 50.169 (11)	8.5199 (10), 50.608 (11)	8.484 (1), 50.724 (11)
V (Å3)	3094.2 (10)	3181.4 (10)	3161.9 (10)
Z	6	6	6
Radiation type	Mo Kα	Mo Kα	Mo Kα
μ (mm−1)	13.14	15.18	21.18
Crystal size (mm)	0.08 × 0.07 × 0.06	0.07 × 0.07 × 0.07	0.08 × 0.07 × 0.05
Data collection
Diffractometer	Nonius KappaCCD single-crystal four-circle	Nonius KappaCCD single-crystal four-circle	Nonius KappaCCD single-crystal four-circle
Absorption correction	Multi-scan (HKL SCALEPACK; Otwinowski et al., 2003 ▸)	Multi-scan (HKL SCALEPACK; Otwinowski et al., 2003 ▸)	Multi-scan HKL SCALEPACK (Otwinowski et al., 2003 ▸)
T min, T max	0.420, 0.506	0.416, 0.416	0.200, 0.347
No. of measured, independent and observed [I > 2σ(I)] reflections	4584, 1259, 1153	4712, 1293, 1134	4682, 1285, 1129
R int	0.014	0.018	0.024
(sin θ/λ)max (Å−1)	0.757	0.757	0.757
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.015, 0.034, 1.11	0.018, 0.041, 1.16	0.018, 0.041, 1.10
No. of reflections	1259	1293	1285
No. of parameters	65	65	71
No. of restraints	2	2	2
H-atom treatment	All H-atom parameters refined	All H-atom parameters refined	All H-atom parameters refined
Δρmax, Δρmin (e Å−3)	0.61, −0.45	0.86, −0.73	0.74, −0.73

Computer programs: COLLECT (Nonius, 2003 ▸), HKL DENZO, SCALEPACK (Otwinowski et al., 2003 ▸), SHELXS97 (Sheldrick, 2008 ▸), SHELXL2016/6 (Sheldrick, 2015 ▸), DIAMOND (Brandenburg, 2005 ▸) and publCIF (Westrip, 2010 ▸).

For reasons of comparison, the coordinates of RbAl2As(HAsO4)6 (Schwendtner & Kolitsch, 2018a ▸) were used for the refinement. These coordinates are also comparable to the related RbFe(HPO4)2 structure type (R c; Lii & Wu, 1994 ▸). In all compounds, O—H bonds were restrained to 0.9±0.02 Å. During the last refinement steps, residual electron-density peaks of up to 5.54 e Å−3 were located close to the M + sites, suggesting irregular displacement parameters and split positions, similar to what was found for many other RbFe(HPO4)2-type compounds and relatives thereof (Lesage et al., 2007 ▸; Schwendtner and Kolitsch, 2018a ▸,b ▸). Therefore, a further position M +1B was included in the refinements, which refined to low occupancies and led to considerable decreases in the R factors and weight parameters for all compounds.

This, however, was not satisfactory for TlGa2As(HAsO4)6, where it led to negative electron densities of −2.3 e Å−3 at the centre of the Tl1A position, probably an effect of the lone electron pair. Therefore, the Tl atoms were again removed from the model and the three highest residual electron densities from the difference-Fourier map were then refined simultaneously as Tl1a, Tl1b and Tl1c. This led to a much better fit explaining the disordered electron density. The refined bulk occupancies on the disordered M + positions in all compounds were very close to 1, but a restraint was still set in all cases to give a total occupancy of 1.00. The final residual electron densities in all title compounds are < 1 e Å−3.

Crystal structure: contains datablock(s) CsAl2AsHAsO46, CsGa2AsHAsO46, TlGa2AsHAsO46. DOI: 10.1107/S2056989018010721/pj2056sup1.cif

Structure factors: contains datablock(s) CsAl2AsHAsO46. DOI: 10.1107/S2056989018010721/pj2056CsAl2AsHAsO46sup2.hkl

Structure factors: contains datablock(s) CsGa2AsHAsO46. DOI: 10.1107/S2056989018010721/pj2056CsGa2AsHAsO46sup3.hkl

Structure factors: contains datablock(s) TlGa2AsHAsO46. DOI: 10.1107/S2056989018010721/pj2056TlGa2AsHAsO46sup4.hkl

CCDC references: 1857884, 1857883, 1857882

Additional supporting information: crystallographic information; 3D view; checkCIF report

CsAl2As(HAsO4)6	Dx = 3.546 Mg m−3
Mr = 1101.36	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3c:H	Cell parameters from 2513 reflections
a = 8.439 (1) Å	θ = 2.4–32.5°
c = 50.169 (11) Å	µ = 13.14 mm−1
V = 3094.2 (10) Å3	T = 293 K
Z = 6	Large pseudo-octahedra, colourless
F(000) = 3060	0.08 × 0.07 × 0.06 mm

Nonius KappaCCD single-crystal four-circle diffractometer	1153 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.014
φ and ω scans	θmax = 32.5°, θmin = 2.4°
Absorption correction: multi-scan (HKL SCALEPACK; Otwinowski et al., 2003)	h = −12→12
Tmin = 0.420, Tmax = 0.506	k = −10→10
4584 measured reflections	l = −75→75
1259 independent reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.015	All H-atom parameters refined
wR(F2) = 0.034	w = 1/[σ2(Fo2) + (0.0121P)2 + 14.2108P] where P = (Fo2 + 2Fc2)/3
S = 1.11	(Δ/σ)max = 0.007
1259 reflections	Δρmax = 0.61 e Å−3
65 parameters	Δρmin = −0.45 e Å−3
2 restraints	Extinction correction: SHELXL-2016/6 (Sheldrick 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.000152 (15)

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cs1A	0.000000	0.000000	0.750000	0.0317 (19)	0.624 (3)
Cs1B	0.000000	−0.018 (3)	0.750000	0.023 (2)	0.1254 (9)
Al1	0.333333	0.666667	0.75637 (2)	0.00616 (14)
As2	0.333333	0.666667	0.666667	0.00670 (8)
As1	−0.44835 (2)	−0.41203 (2)	0.71182 (2)	0.00739 (5)
O1	0.39564 (16)	−0.47264 (16)	0.68660 (2)	0.0100 (2)
O2	−0.46035 (16)	−0.27705 (16)	0.73495 (2)	0.0099 (2)
O3	−0.23352 (18)	−0.28644 (19)	0.69863 (3)	0.0178 (3)
O4	0.48577 (16)	−0.13040 (16)	0.77831 (2)	0.0102 (2)
H	−0.184 (5)	−0.355 (5)	0.7004 (7)	0.066 (11)*

	U11	U22	U33	U12	U13	U23
Cs1A	0.029 (2)	0.029 (2)	0.0366 (19)	0.0146 (12)	0.000	0.000
Cs1B	0.016 (3)	0.028 (4)	0.021 (2)	0.0082 (15)	0.0021 (18)	0.0011 (9)
Al1	0.0066 (2)	0.0066 (2)	0.0053 (3)	0.00329 (11)	0.000	0.000
As2	0.00756 (11)	0.00756 (11)	0.00499 (15)	0.00378 (5)	0.000	0.000
As1	0.00831 (8)	0.00780 (8)	0.00710 (8)	0.00481 (6)	−0.00008 (5)	0.00030 (5)
O1	0.0132 (5)	0.0097 (5)	0.0085 (5)	0.0067 (4)	−0.0030 (4)	0.0000 (4)
O2	0.0106 (5)	0.0099 (5)	0.0097 (5)	0.0055 (4)	0.0007 (4)	−0.0017 (4)
O3	0.0104 (5)	0.0177 (6)	0.0245 (6)	0.0065 (5)	0.0071 (5)	0.0057 (5)
O4	0.0115 (5)	0.0082 (5)	0.0123 (5)	0.0060 (4)	−0.0028 (4)	−0.0035 (4)

Cs1A—Cs1Bi	0.15 (2)	Cs1B—O2iii	3.457 (2)
Cs1A—Cs1Bii	0.15 (2)	Cs1B—O3ii	3.507 (14)
Cs1A—O3iii	3.4066 (15)	Cs1B—O3v	3.507 (14)
Cs1A—O3ii	3.4066 (16)	Cs1B—O2v	3.609 (19)
Cs1A—O3iv	3.4066 (16)	Cs1B—O2ii	3.609 (19)
Cs1A—O3	3.4066 (16)	Cs1B—O4vi	4.018 (19)
Cs1A—O3v	3.4066 (15)	Cs1B—O4vii	4.018 (19)
Cs1A—O3i	3.4066 (16)	Cs1B—As1i	4.039 (10)
Cs1A—O2	3.4707 (13)	Cs1B—As1iv	4.039 (10)
Cs1A—O2v	3.4707 (12)	Cs1B—As1	4.057 (7)
Cs1A—O2i	3.4707 (12)	Cs1B—As1iii	4.057 (7)
Cs1A—O2iv	3.4708 (13)	Al1—O2viii	1.8933 (12)
Cs1A—O2iii	3.4708 (13)	Al1—O2ii	1.8933 (13)
Cs1A—O2ii	3.4708 (13)	Al1—O2ix	1.8934 (12)
Cs1A—As1	4.1132 (5)	Al1—O4x	1.8963 (13)
Cs1A—As1v	4.1132 (4)	Al1—O4i	1.8963 (12)
Cs1A—As1i	4.1132 (5)	Al1—O4xi	1.8963 (12)
Cs1A—As1iv	4.1133 (4)	As2—O1xii	1.8103 (12)
Cs1A—As1iii	4.1133 (4)	As2—O1xiii	1.8103 (12)
Cs1A—As1ii	4.1133 (5)	As2—O1xi	1.8104 (11)
Cs1B—Cs1Bi	0.27 (4)	As2—O1i	1.8104 (12)
Cs1B—Cs1Bii	0.27 (4)	As2—O1xiv	1.8104 (11)
Cs1B—O3iii	3.345 (8)	As2—O1x	1.8104 (11)
Cs1B—O3	3.345 (8)	As1—O4iii	1.6639 (12)
Cs1B—O2i	3.352 (16)	As1—O2	1.6641 (11)
Cs1B—O2iv	3.352 (16)	As1—O1xv	1.7094 (12)
Cs1B—O3iv	3.376 (4)	As1—O3	1.7108 (13)
Cs1B—O3i	3.376 (4)	O3—H	0.875 (19)
Cs1B—O2	3.457 (2)
Cs1Bi—Cs1A—Cs1Bii	120.0 (2)	O3v—Cs1B—O4vii	153.1 (3)
Cs1Bi—Cs1A—O3iii	77.07 (3)	O2v—Cs1B—O4vii	143.57 (3)
Cs1Bii—Cs1A—O3iii	130.09 (4)	O2ii—Cs1B—O4vii	146.38 (3)
Cs1Bi—Cs1A—O3ii	77.07 (3)	O4vi—Cs1B—O4vii	50.4 (3)
Cs1Bii—Cs1A—O3ii	65.14 (12)	Cs1Bi—Cs1B—As1i	91.9 (2)
O3iii—Cs1A—O3ii	154.15 (5)	Cs1Bii—Cs1B—As1i	141.11 (14)
Cs1Bi—Cs1A—O3iv	130.09 (3)	O3iii—Cs1B—As1i	78.8 (2)
Cs1Bii—Cs1A—O3iv	65.14 (12)	O3—Cs1B—As1i	80.6 (2)
O3iii—Cs1A—O3iv	68.99 (4)	O2i—Cs1B—As1i	23.77 (5)
O3ii—Cs1A—O3iv	130.29 (5)	O2iv—Cs1B—As1i	101.5 (5)
Cs1Bi—Cs1A—O3	130.09 (3)	O3iv—Cs1B—As1i	137.7 (6)
Cs1Bii—Cs1A—O3	77.07 (14)	O3i—Cs1B—As1i	24.66 (9)
O3iii—Cs1A—O3	130.29 (5)	O2—Cs1B—As1i	126.1 (3)
O3ii—Cs1A—O3	68.99 (4)	O2iii—Cs1B—As1i	49.09 (10)
O3iv—Cs1A—O3	99.81 (5)	O3ii—Cs1B—As1i	92.71 (5)
Cs1Bi—Cs1A—O3v	65.14 (4)	O3v—Cs1B—As1i	125.43 (12)
Cs1Bii—Cs1A—O3v	77.07 (14)	O2v—Cs1B—As1i	143.1 (4)
O3iii—Cs1A—O3v	68.99 (4)	O2ii—Cs1B—As1i	92.74 (12)
O3ii—Cs1A—O3v	99.81 (5)	O4vi—Cs1B—As1i	64.3 (3)
O3iv—Cs1A—O3v	68.99 (4)	O4vii—Cs1B—As1i	65.5 (3)
O3—Cs1A—O3v	154.15 (5)	Cs1Bi—Cs1B—As1iv	141.1 (3)
Cs1Bi—Cs1A—O3i	65.14 (4)	Cs1Bii—Cs1B—As1iv	91.9 (4)
Cs1Bii—Cs1A—O3i	130.09 (4)	O3iii—Cs1B—As1iv	80.6 (2)
O3iii—Cs1A—O3i	99.81 (5)	O3—Cs1B—As1iv	78.8 (2)
O3ii—Cs1A—O3i	68.99 (4)	O2i—Cs1B—As1iv	101.5 (5)
O3iv—Cs1A—O3i	154.15 (5)	O2iv—Cs1B—As1iv	23.77 (5)
O3—Cs1A—O3i	68.99 (4)	O3iv—Cs1B—As1iv	24.66 (9)
O3v—Cs1A—O3i	130.29 (5)	O3i—Cs1B—As1iv	137.7 (6)
Cs1Bi—Cs1A—O2	153.70 (4)	O2—Cs1B—As1iv	49.09 (10)
Cs1Bii—Cs1A—O2	38.5 (2)	O2iii—Cs1B—As1iv	126.1 (3)
O3iii—Cs1A—O2	127.04 (3)	O3ii—Cs1B—As1iv	125.43 (12)
O3ii—Cs1A—O2	78.39 (3)	O3v—Cs1B—As1iv	92.71 (5)
O3iv—Cs1A—O2	62.83 (3)	O2v—Cs1B—As1iv	92.74 (12)
O3—Cs1A—O2	45.72 (3)	O2ii—Cs1B—As1iv	143.1 (4)
O3v—Cs1A—O2	110.37 (3)	O4vi—Cs1B—As1iv	65.5 (3)
O3i—Cs1A—O2	113.93 (3)	O4vii—Cs1B—As1iv	64.3 (3)
Cs1Bi—Cs1A—O2v	83.46 (2)	As1i—Cs1B—As1iv	124.1 (5)
Cs1Bii—Cs1A—O2v	38.5 (2)	Cs1Bi—Cs1B—As1	135.2 (3)
O3iii—Cs1A—O2v	113.93 (3)	Cs1Bii—Cs1B—As1	84.4 (4)
O3ii—Cs1A—O2v	62.83 (3)	O3iii—Cs1B—As1	129.9 (5)
O3iv—Cs1A—O2v	78.39 (3)	O3—Cs1B—As1	24.38 (5)
O3—Cs1A—O2v	110.37 (3)	O2i—Cs1B—As1	96.4 (4)
O3v—Cs1A—O2v	45.72 (3)	O2iv—Cs1B—As1	49.35 (14)
O3i—Cs1A—O2v	127.04 (3)	O3iv—Cs1B—As1	78.22 (15)
O2—Cs1A—O2v	77.02 (4)	O3i—Cs1B—As1	94.4 (2)
Cs1Bi—Cs1A—O2i	83.46 (2)	O2—Cs1B—As1	23.92 (7)
Cs1Bii—Cs1A—O2i	153.70 (19)	O2iii—Cs1B—As1	149.8 (5)
O3iii—Cs1A—O2i	62.83 (3)	O3ii—Cs1B—As1	78.48 (6)
O3ii—Cs1A—O2i	113.93 (3)	O3v—Cs1B—As1	132.2 (2)
O3iv—Cs1A—O2i	110.37 (3)	O2v—Cs1B—As1	96.79 (18)
O3—Cs1A—O2i	78.39 (3)	O2ii—Cs1B—As1	121.4 (3)
O3v—Cs1A—O2i	127.04 (3)	O4vi—Cs1B—As1	92.2 (4)
O3i—Cs1A—O2i	45.72 (3)	O4vii—Cs1B—As1	47.32 (16)
O2—Cs1A—O2i	115.404 (13)	As1i—Cs1B—As1	102.3 (3)
O2v—Cs1A—O2i	166.91 (4)	As1iv—Cs1B—As1	57.07 (13)
Cs1Bi—Cs1A—O2iv	153.70 (4)	Cs1Bi—Cs1B—As1iii	84.4 (2)
Cs1Bii—Cs1A—O2iv	83.5 (2)	Cs1Bii—Cs1B—As1iii	135.20 (15)
O3iii—Cs1A—O2iv	78.39 (3)	O3iii—Cs1B—As1iii	24.38 (5)
O3ii—Cs1A—O2iv	127.04 (3)	O3—Cs1B—As1iii	129.9 (5)
O3iv—Cs1A—O2iv	45.72 (3)	O2i—Cs1B—As1iii	49.35 (14)
O3—Cs1A—O2iv	62.83 (3)	O2iv—Cs1B—As1iii	96.4 (4)
O3v—Cs1A—O2iv	113.93 (3)	O3iv—Cs1B—As1iii	94.4 (2)
O3i—Cs1A—O2iv	110.37 (3)	O3i—Cs1B—As1iii	78.22 (15)
O2—Cs1A—O2iv	52.60 (4)	O2—Cs1B—As1iii	149.8 (5)
O2v—Cs1A—O2iv	115.404 (13)	O2iii—Cs1B—As1iii	23.92 (7)
O2i—Cs1A—O2iv	77.02 (4)	O3ii—Cs1B—As1iii	132.2 (2)
Cs1Bi—Cs1A—O2iii	38.51 (2)	O3v—Cs1B—As1iii	78.48 (6)
Cs1Bii—Cs1A—O2iii	153.70 (19)	O2v—Cs1B—As1iii	121.4 (3)
O3iii—Cs1A—O2iii	45.72 (3)	O2ii—Cs1B—As1iii	96.80 (18)
O3ii—Cs1A—O2iii	110.37 (3)	O4vi—Cs1B—As1iii	47.32 (16)
O3iv—Cs1A—O2iii	113.93 (3)	O4vii—Cs1B—As1iii	92.2 (4)
O3—Cs1A—O2iii	127.04 (3)	As1i—Cs1B—As1iii	57.07 (13)
O3v—Cs1A—O2iii	78.39 (3)	As1iv—Cs1B—As1iii	102.3 (3)
O3i—Cs1A—O2iii	62.83 (3)	As1—Cs1B—As1iii	138.7 (6)
O2—Cs1A—O2iii	166.91 (4)	O2viii—Al1—O2ii	90.96 (6)
O2v—Cs1A—O2iii	115.403 (13)	O2viii—Al1—O2ix	90.96 (6)
O2i—Cs1A—O2iii	52.60 (4)	O2ii—Al1—O2ix	90.96 (6)
O2iv—Cs1A—O2iii	115.402 (13)	O2viii—Al1—O4x	88.82 (5)
Cs1Bi—Cs1A—O2ii	38.51 (2)	O2ii—Al1—O4x	178.50 (6)
Cs1Bii—Cs1A—O2ii	83.5 (2)	O2ix—Al1—O4x	90.53 (5)
O3iii—Cs1A—O2ii	110.37 (3)	O2viii—Al1—O4i	178.50 (6)
O3ii—Cs1A—O2ii	45.72 (3)	O2ii—Al1—O4i	90.53 (5)
O3iv—Cs1A—O2ii	127.04 (3)	O2ix—Al1—O4i	88.82 (5)
O3—Cs1A—O2ii	113.93 (3)	O4x—Al1—O4i	89.70 (6)
O3v—Cs1A—O2ii	62.83 (3)	O2viii—Al1—O4xi	90.53 (5)
O3i—Cs1A—O2ii	78.39 (3)	O2ii—Al1—O4xi	88.82 (5)
O2—Cs1A—O2ii	115.404 (13)	O2ix—Al1—O4xi	178.50 (6)
O2v—Cs1A—O2ii	52.60 (4)	O4x—Al1—O4xi	89.70 (6)
O2i—Cs1A—O2ii	115.404 (13)	O4i—Al1—O4xi	89.70 (6)
O2iv—Cs1A—O2ii	166.91 (4)	O2viii—Al1—Cs1Bx	123.30 (10)
O2iii—Cs1A—O2ii	77.02 (4)	O2ii—Al1—Cs1Bx	99.54 (13)
Cs1Bi—Cs1A—As1	151.960 (16)	O2ix—Al1—Cs1Bx	33.98 (6)
Cs1Bii—Cs1A—As1	60.19 (18)	O4x—Al1—Cs1Bx	81.81 (12)
O3iii—Cs1A—As1	126.11 (2)	O4i—Al1—Cs1Bx	56.21 (9)
O3ii—Cs1A—As1	78.79 (2)	O4xi—Al1—Cs1Bx	144.65 (7)
O3iv—Cs1A—As1	77.08 (3)	O2viii—Al1—Cs1Bi	99.54 (12)
O3—Cs1A—As1	24.02 (2)	O2ii—Al1—Cs1Bi	33.98 (5)
O3v—Cs1A—As1	133.70 (2)	O2ix—Al1—Cs1Bi	123.30 (9)
O3i—Cs1A—As1	92.93 (3)	O4x—Al1—Cs1Bi	144.65 (6)
O2—Cs1A—As1	23.442 (18)	O4i—Al1—Cs1Bi	81.81 (12)
O2v—Cs1A—As1	98.010 (19)	O4xi—Al1—Cs1Bi	56.21 (9)
O2i—Cs1A—As1	93.54 (2)	Cs1Bx—Al1—Cs1Bi	119.552 (13)
O2iv—Cs1A—As1	48.32 (2)	O2viii—Al1—Cs1Bxi	33.98 (6)
O2iii—Cs1A—As1	146.060 (19)	O2ii—Al1—Cs1Bxi	123.30 (10)
O2ii—Cs1A—As1	123.48 (2)	O2ix—Al1—Cs1Bxi	99.54 (14)
Cs1Bi—Cs1A—As1v	67.330 (11)	O4x—Al1—Cs1Bxi	56.21 (10)
Cs1Bii—Cs1A—As1v	60.19 (18)	O4i—Al1—Cs1Bxi	144.65 (7)
O3iii—Cs1A—As1v	92.93 (3)	O4xi—Al1—Cs1Bxi	81.81 (14)
O3ii—Cs1A—As1v	77.09 (3)	Cs1Bx—Al1—Cs1Bxi	119.552 (7)
O3iv—Cs1A—As1v	78.78 (2)	Cs1Bi—Al1—Cs1Bxi	119.552 (4)
O3—Cs1A—As1v	133.71 (2)	O2viii—Al1—Cs1Ax	122.73 (4)
O3v—Cs1A—As1v	24.02 (2)	O2ii—Al1—Cs1Ax	100.35 (4)
O3i—Cs1A—As1v	126.11 (2)	O2ix—Al1—Cs1Ax	33.72 (4)
O2—Cs1A—As1v	98.010 (19)	O4x—Al1—Cs1Ax	81.01 (3)
O2v—Cs1A—As1v	23.441 (19)	O4i—Al1—Cs1Ax	56.75 (4)
O2i—Cs1A—As1v	146.06 (2)	O4xi—Al1—Cs1Ax	144.92 (4)
O2iv—Cs1A—As1v	123.484 (19)	Cs1Bx—Al1—Cs1Ax	0.93 (14)
O2iii—Cs1A—As1v	93.54 (2)	Cs1Bi—Al1—Cs1Ax	120.48 (13)
O2ii—Cs1A—As1v	48.32 (2)	Cs1Bxi—Al1—Cs1Ax	118.65 (14)
As1—Cs1A—As1v	120.371 (6)	O2viii—Al1—Cs1A	100.35 (4)
Cs1Bi—Cs1A—As1i	67.330 (8)	O2ii—Al1—Cs1A	33.72 (4)
Cs1Bii—Cs1A—As1i	151.96 (3)	O2ix—Al1—Cs1A	122.73 (4)
O3iii—Cs1A—As1i	77.09 (3)	O4x—Al1—Cs1A	144.92 (4)
O3ii—Cs1A—As1i	92.93 (3)	O4i—Al1—Cs1A	81.01 (4)
O3iv—Cs1A—As1i	133.71 (2)	O4xi—Al1—Cs1A	56.75 (4)
O3—Cs1A—As1i	78.79 (2)	Cs1Bx—Al1—Cs1A	118.65 (14)
O3v—Cs1A—As1i	126.11 (2)	Cs1Bi—Al1—Cs1A	0.93 (13)
O3i—Cs1A—As1i	24.02 (2)	Cs1Bxi—Al1—Cs1A	120.48 (13)
O2—Cs1A—As1i	123.48 (2)	Cs1Ax—Al1—Cs1A	119.576 (2)
O2v—Cs1A—As1i	146.06 (2)	O2viii—Al1—Cs1Aviii	33.72 (4)
O2i—Cs1A—As1i	23.441 (19)	O2ii—Al1—Cs1Aviii	122.74 (4)
O2iv—Cs1A—As1i	98.010 (19)	O2ix—Al1—Cs1Aviii	100.35 (4)
O2iii—Cs1A—As1i	48.32 (2)	O4x—Al1—Cs1Aviii	56.75 (4)
O2ii—Cs1A—As1i	93.54 (2)	O4i—Al1—Cs1Aviii	144.92 (4)
As1—Cs1A—As1i	100.065 (9)	O4xi—Al1—Cs1Aviii	81.01 (4)
As1v—Cs1A—As1i	134.660 (5)	Cs1Bx—Al1—Cs1Aviii	120.48 (14)
Cs1Bi—Cs1A—As1iv	151.959 (16)	Cs1Bi—Al1—Cs1Aviii	118.65 (13)
Cs1Bii—Cs1A—As1iv	67.33 (18)	Cs1Bxi—Al1—Cs1Aviii	0.93 (14)
O3iii—Cs1A—As1iv	78.79 (2)	Cs1Ax—Al1—Cs1Aviii	119.576 (2)
O3ii—Cs1A—As1iv	126.11 (2)	Cs1A—Al1—Cs1Aviii	119.576 (2)
O3iv—Cs1A—As1iv	24.02 (2)	O1xii—As2—O1xiii	92.41 (5)
O3—Cs1A—As1iv	77.08 (3)	O1xii—As2—O1xi	180.0
O3v—Cs1A—As1iv	92.93 (3)	O1xiii—As2—O1xi	87.59 (5)
O3i—Cs1A—As1iv	133.70 (2)	O1xii—As2—O1i	87.59 (5)
O2—Cs1A—As1iv	48.31 (2)	O1xiii—As2—O1i	180.00 (10)
O2v—Cs1A—As1iv	93.54 (2)	O1xi—As2—O1i	92.41 (5)
O2i—Cs1A—As1iv	98.010 (19)	O1xii—As2—O1xiv	92.41 (5)
O2iv—Cs1A—As1iv	23.441 (18)	O1xiii—As2—O1xiv	92.41 (5)
O2iii—Cs1A—As1iv	123.482 (19)	O1xi—As2—O1xiv	87.59 (5)
O2ii—Cs1A—As1iv	146.060 (19)	O1i—As2—O1xiv	87.59 (5)
As1—Cs1A—As1iv	56.080 (13)	O1xii—As2—O1x	87.59 (5)
As1v—Cs1A—As1iv	100.065 (7)	O1xiii—As2—O1x	87.59 (5)
As1i—Cs1A—As1iv	120.371 (6)	O1xi—As2—O1x	92.40 (5)
Cs1Bi—Cs1A—As1iii	60.186 (15)	O1i—As2—O1x	92.40 (5)
Cs1Bii—Cs1A—As1iii	151.96 (3)	O1xiv—As2—O1x	180.00 (7)
O3iii—Cs1A—As1iii	24.02 (2)	O4iii—As1—O2	117.14 (6)
O3ii—Cs1A—As1iii	133.70 (2)	O4iii—As1—O1xv	101.04 (6)
O3iv—Cs1A—As1iii	92.93 (3)	O2—As1—O1xv	114.80 (6)
O3—Cs1A—As1iii	126.11 (2)	O4iii—As1—O3	110.50 (6)
O3v—Cs1A—As1iii	78.79 (2)	O2—As1—O3	104.71 (7)
O3i—Cs1A—As1iii	77.08 (3)	O1xv—As1—O3	108.55 (7)
O2—Cs1A—As1iii	146.058 (19)	O4iii—As1—Cs1Bii	111.95 (18)
O2v—Cs1A—As1iii	123.483 (19)	O2—As1—Cs1Bii	54.3 (3)
O2i—Cs1A—As1iii	48.32 (2)	O1xv—As1—Cs1Bii	146.59 (15)
O2iv—Cs1A—As1iii	93.54 (2)	O3—As1—Cs1Bii	55.4 (2)
O2iii—Cs1A—As1iii	23.441 (19)	O4iii—As1—Cs1B	108.9 (3)
O2ii—Cs1A—As1iii	98.011 (19)	O2—As1—Cs1B	57.4 (2)
As1—Cs1A—As1iii	134.660 (5)	O1xv—As1—Cs1B	149.1 (2)
As1v—Cs1A—As1iii	100.065 (7)	O3—As1—Cs1B	53.82 (8)
As1i—Cs1A—As1iii	56.081 (12)	Cs1Bii—As1—Cs1B	3.7 (5)
As1iv—Cs1A—As1iii	100.064 (7)	O4iii—As1—Cs1A	110.78 (4)
Cs1Bi—Cs1A—As1ii	60.186 (14)	O2—As1—Cs1A	56.07 (4)
Cs1Bii—Cs1A—As1ii	67.33 (18)	O1xv—As1—Cs1A	147.44 (4)
O3iii—Cs1A—As1ii	133.70 (2)	O3—As1—Cs1A	54.16 (5)
O3ii—Cs1A—As1ii	24.02 (2)	Cs1Bii—As1—Cs1A	1.9 (3)
O3iv—Cs1A—As1ii	126.11 (2)	Cs1B—As1—Cs1A	2.0 (3)
O3—Cs1A—As1ii	92.93 (3)	O4iii—As1—Cs1Bi	111.44 (10)
O3v—Cs1A—As1ii	77.08 (3)	O2—As1—Cs1Bi	56.52 (7)
O3i—Cs1A—As1ii	78.79 (2)	O1xv—As1—Cs1Bi	146.64 (11)
O2—Cs1A—As1ii	93.55 (2)	O3—As1—Cs1Bi	53.34 (12)
O2v—Cs1A—As1ii	48.32 (2)	Cs1Bii—As1—Cs1Bi	2.2 (3)
O2i—Cs1A—As1ii	123.48 (2)	Cs1B—As1—Cs1Bi	2.5 (4)
O2iv—Cs1A—As1ii	146.060 (19)	Cs1A—As1—Cs1Bi	0.97 (13)
O2iii—Cs1A—As1ii	98.011 (19)	O4iii—As1—Cs1Bxvi	44.17 (5)
O2ii—Cs1A—As1ii	23.441 (19)	O2—As1—Cs1Bxvi	93.27 (8)
As1—Cs1A—As1ii	100.065 (9)	O1xv—As1—Cs1Bxvi	78.98 (10)
As1v—Cs1A—As1ii	56.081 (13)	O3—As1—Cs1Bxvi	154.47 (5)
As1i—Cs1A—As1ii	100.065 (9)	Cs1Bii—As1—Cs1Bxvi	129.10 (15)
As1iv—Cs1A—As1ii	134.660 (5)	Cs1B—As1—Cs1Bxvi	128.6 (2)
As1iii—Cs1A—As1ii	120.371 (6)	Cs1A—As1—Cs1Bxvi	129.41 (10)
Cs1Bi—Cs1B—Cs1Bii	60.00 (4)	Cs1Bi—As1—Cs1Bxvi	130.38 (4)
Cs1Bi—Cs1B—O3iii	94.4 (3)	O4iii—As1—Cs1Axvii	44.29 (4)
Cs1Bii—Cs1B—O3iii	125.9 (2)	O2—As1—Cs1Axvii	93.71 (4)
Cs1Bi—Cs1B—O3	125.9 (3)	O1xv—As1—Cs1Axvii	78.36 (4)
Cs1Bii—Cs1B—O3	94.4 (4)	O3—As1—Cs1Axvii	154.48 (5)
O3iii—Cs1B—O3	135.1 (7)	Cs1Bii—As1—Cs1Axvii	129.75 (5)
Cs1Bi—Cs1B—O2i	111.1 (2)	Cs1B—As1—Cs1Axvii	129.29 (11)
Cs1Bii—Cs1B—O2i	164.59 (9)	Cs1A—As1—Cs1Axvii	130.055 (13)
O3iii—Cs1B—O2i	64.7 (3)	Cs1Bi—As1—Cs1Axvii	131.03 (14)
O3—Cs1B—O2i	80.9 (4)	Cs1Bxvi—As1—Cs1Axvii	0.65 (10)
Cs1Bi—Cs1B—O2iv	164.6 (2)	O4iii—As1—Cs1Bxviii	45.8 (2)
Cs1Bii—Cs1B—O2iv	111.1 (4)	O2—As1—Cs1Bxviii	92.99 (12)
O3iii—Cs1B—O2iv	80.9 (4)	O1xv—As1—Cs1Bxviii	77.45 (15)
O3—Cs1B—O2iv	64.7 (3)	O3—As1—Cs1Bxviii	155.9 (2)
O2i—Cs1B—O2iv	80.3 (5)	Cs1Bii—As1—Cs1Bxviii	130.167 (13)
Cs1Bi—Cs1B—O3iv	117.8 (3)	Cs1B—As1—Cs1Bxviii	129.84 (3)
Cs1Bii—Cs1B—O3iv	81.1 (4)	Cs1A—As1—Cs1Bxviii	130.54 (7)
O3iii—Cs1B—O3iv	70.08 (15)	Cs1Bi—As1—Cs1Bxviii	131.5 (2)
O3—Cs1B—O3iv	101.7 (3)	Cs1Bxvi—As1—Cs1Bxviii	1.8 (3)
O2i—Cs1B—O3iv	114.1 (5)	Cs1Axvii—As1—Cs1Bxviii	1.5 (2)
O2iv—Cs1B—O3iv	46.81 (15)	O4iii—As1—Cs1Bxvii	42.9 (2)
Cs1Bi—Cs1B—O3i	81.1 (3)	O2—As1—Cs1Bxvii	94.85 (18)
Cs1Bii—Cs1B—O3i	117.8 (2)	O1xv—As1—Cs1Bxvii	78.69 (8)
O3iii—Cs1B—O3i	101.7 (3)	O3—As1—Cs1Bxvii	153.1 (2)
O3—Cs1B—O3i	70.08 (15)	Cs1Bii—As1—Cs1Bxvii	129.92 (2)
O2i—Cs1B—O3i	46.81 (15)	Cs1B—As1—Cs1Bxvii	129.35 (12)
O2iv—Cs1B—O3i	114.1 (5)	Cs1A—As1—Cs1Bxvii	130.167 (19)
O3iv—Cs1B—O3i	159.2 (7)	Cs1Bi—As1—Cs1Bxvii	131.14 (15)
Cs1Bi—Cs1B—O2	123.2 (4)	Cs1Bxvi—As1—Cs1Bxvii	1.6 (2)
Cs1Bii—Cs1B—O2	64.8 (5)	Cs1Axvii—As1—Cs1Bxvii	1.4 (2)
O3iii—Cs1B—O2	129.6 (3)	Cs1Bxviii—As1—Cs1Bxvii	2.9 (4)
O3—Cs1B—O2	46.24 (7)	As1xix—O1—As2xx	130.17 (7)
O2i—Cs1B—O2	119.0 (5)	As1xix—O1—Cs1Bvi	81.42 (16)
O2iv—Cs1B—O2	53.68 (15)	As2xx—O1—Cs1Bvi	129.94 (11)
O3iv—Cs1B—O2	63.29 (6)	As1xix—O1—Cs1Axx	82.55 (4)
O3i—Cs1B—O2	115.10 (14)	As2xx—O1—Cs1Axx	129.26 (5)
Cs1Bi—Cs1B—O2iii	64.8 (3)	Cs1Bvi—O1—Cs1Axx	1.14 (17)
Cs1Bii—Cs1B—O2iii	123.2 (2)	As1xix—O1—Cs1Bxxi	83.66 (17)
O3iii—Cs1B—O2iii	46.23 (7)	As2xx—O1—Cs1Bxxi	127.6 (2)
O3—Cs1B—O2iii	129.7 (3)	Cs1Bvi—O1—Cs1Bxxi	2.5 (3)
O2i—Cs1B—O2iii	53.68 (15)	Cs1Axx—O1—Cs1Bxxi	1.7 (2)
O2iv—Cs1B—O2iii	119.0 (5)	As1—O2—Al1xvii	125.94 (7)
O3iv—Cs1B—O2iii	115.10 (14)	As1—O2—Cs1Bii	101.9 (2)
O3i—Cs1B—O2iii	63.29 (6)	Al1xvii—O2—Cs1Bii	127.63 (17)
O2—Cs1B—O2iii	172.0 (7)	As1—O2—Cs1B	98.7 (3)
Cs1Bi—Cs1B—O3ii	58.4 (2)	Al1xvii—O2—Cs1B	129.54 (14)
Cs1Bii—Cs1B—O3ii	50.60 (16)	Cs1Bii—O2—Cs1B	4.1 (6)
O3iii—Cs1B—O3ii	151.4 (4)	As1—O2—Cs1A	100.49 (5)
O3—Cs1B—O3ii	68.50 (9)	Al1xvii—O2—Cs1A	128.67 (5)
O2i—Cs1B—O3ii	114.37 (6)	Cs1Bii—O2—Cs1A	1.6 (2)
O2iv—Cs1B—O3ii	127.63 (7)	Cs1B—O2—Cs1A	2.5 (4)
O3iv—Cs1B—O3ii	127.8 (4)	As1—O2—Cs1Bi	100.86 (7)
O3i—Cs1B—O3ii	68.17 (13)	Al1xvii—O2—Cs1Bi	128.74 (5)
O2—Cs1B—O3ii	77.24 (17)	Cs1Bii—O2—Cs1Bi	1.12 (16)
O2iii—Cs1B—O3ii	108.3 (3)	Cs1B—O2—Cs1Bi	3.5 (5)
Cs1Bi—Cs1B—O3v	50.6 (2)	Cs1A—O2—Cs1Bi	1.08 (14)
Cs1Bii—Cs1B—O3v	58.37 (14)	As1—O3—Cs1B	101.80 (6)
O3iii—Cs1B—O3v	68.50 (9)	As1—O3—Cs1Bii	99.9 (3)
O3—Cs1B—O3v	151.4 (4)	Cs1B—O3—Cs1Bii	4.5 (6)
O2i—Cs1B—O3v	127.63 (7)	As1—O3—Cs1A	101.82 (6)
O2iv—Cs1B—O3v	114.37 (6)	Cs1B—O3—Cs1A	2.4 (3)
O3iv—Cs1B—O3v	68.17 (13)	Cs1Bii—O3—Cs1A	2.5 (4)
O3i—Cs1B—O3v	127.8 (4)	As1—O3—Cs1Bi	103.6 (2)
O2—Cs1B—O3v	108.3 (3)	Cs1B—O3—Cs1Bi	3.5 (5)
O2iii—Cs1B—O3v	77.24 (17)	Cs1Bii—O3—Cs1Bi	3.8 (5)
O3ii—Cs1B—O3v	96.0 (5)	Cs1A—O3—Cs1Bi	1.9 (3)
Cs1Bi—Cs1B—O2v	53.28 (17)	As1—O3—H	105 (3)
Cs1Bii—Cs1B—O2v	14.29 (7)	Cs1B—O3—H	93 (3)
O3iii—Cs1B—O2v	112.0 (3)	Cs1Bii—O3—H	98 (2)
O3—Cs1B—O2v	108.5 (3)	Cs1A—O3—H	96 (2)
O2i—Cs1B—O2v	164.4 (4)	Cs1Bi—O3—H	96 (3)
O2iv—Cs1B—O2v	114.85 (9)	As1iii—O4—Al1xx	127.34 (7)
O3iv—Cs1B—O2v	76.9 (2)	As1iii—O4—Cs1Bxxii	119.06 (10)
O3i—Cs1B—O2v	123.6 (5)	Al1xx—O4—Cs1Bxxii	100.69 (5)
O2—Cs1B—O2v	75.4 (2)	As1iii—O4—Cs1Axix	119.48 (5)
O2iii—Cs1B—O2v	112.3 (4)	Al1xx—O4—Cs1Axix	100.82 (4)
O3ii—Cs1B—O2v	60.5 (3)	Cs1Bxxii—O4—Cs1Axix	0.90 (13)
O3v—Cs1B—O2v	44.1 (2)	As1iii—O4—Cs1Bxix	121.4 (3)
Cs1Bi—Cs1B—O2ii	14.29 (3)	Al1xx—O4—Cs1Bxix	99.51 (19)
Cs1Bii—Cs1B—O2ii	53.28 (3)	Cs1Bxxii—O4—Cs1Bxix	2.7 (4)
O3iii—Cs1B—O2ii	108.5 (3)	Cs1Axix—O4—Cs1Bxix	2.0 (3)
O3—Cs1B—O2ii	112.0 (3)	As1iii—O4—Cs1Bxxiii	117.9 (2)
O2i—Cs1B—O2ii	114.85 (9)	Al1xx—O4—Cs1Bxxiii	102.2 (2)
O2iv—Cs1B—O2ii	164.4 (4)	Cs1Bxxii—O4—Cs1Bxxiii	1.5 (2)
O3iv—Cs1B—O2ii	123.6 (5)	Cs1Axix—O4—Cs1Bxxiii	1.6 (2)
O3i—Cs1B—O2ii	76.9 (2)	Cs1Bxix—O4—Cs1Bxxiii	3.5 (5)
O2—Cs1B—O2ii	112.3 (4)	As1iii—O4—Cs1B	52.18 (19)
O2iii—Cs1B—O2ii	75.4 (2)	Al1xx—O4—Cs1B	75.5 (2)
O3ii—Cs1B—O2ii	44.1 (2)	Cs1Bxxii—O4—Cs1B	135.11 (6)
O3v—Cs1B—O2ii	60.5 (3)	Cs1Axix—O4—Cs1B	136.01 (8)
O2v—Cs1B—O2ii	50.4 (3)	Cs1Bxix—O4—Cs1B	137.3 (2)
Cs1Bi—Cs1B—O4vi	131.69 (8)	Cs1Bxxiii—O4—Cs1B	135.55 (3)
Cs1Bii—Cs1B—O4vi	154.46 (10)	As1iii—O4—Cs1Bi	49.73 (17)
O3iii—Cs1B—O4vi	42.3 (2)	Al1xx—O4—Cs1Bi	78.1 (2)
O3—Cs1B—O4vi	92.7 (5)	Cs1Bxxii—O4—Cs1Bi	133.5 (3)
O2i—Cs1B—O4vi	40.9 (2)	Cs1Axix—O4—Cs1Bi	134.38 (18)
O2iv—Cs1B—O4vi	51.1 (3)	Cs1Bxix—O4—Cs1Bi	135.76 (3)
O3iv—Cs1B—O4vi	73.4 (3)	Cs1Bxxiii—O4—Cs1Bi	133.8 (3)
O3i—Cs1B—O4vi	87.7 (4)	Cs1B—O4—Cs1Bi	3.1 (4)
O2—Cs1B—O4vi	104.2 (4)	As1iii—O4—Cs1A	50.92 (3)
O2iii—Cs1B—O4vi	68.2 (2)	Al1xx—O4—Cs1A	76.77 (3)
O3ii—Cs1B—O4vi	153.1 (3)	Cs1Bxxii—O4—Cs1A	134.61 (13)
O3v—Cs1B—O4vi	108.65 (13)	Cs1Axix—O4—Cs1A	135.51 (3)
O2v—Cs1B—O4vi	146.38 (3)	Cs1Bxix—O4—Cs1A	136.84 (18)
O2ii—Cs1B—O4vi	143.57 (3)	Cs1Bxxiii—O4—Cs1A	135.01 (8)
Cs1Bi—Cs1B—O4vii	154.46 (3)	Cs1B—O4—Cs1A	1.4 (2)
Cs1Bii—Cs1B—O4vii	131.7 (2)	Cs1Bi—O4—Cs1A	1.7 (3)
O3iii—Cs1B—O4vii	92.7 (5)	As1iii—O4—Cs1Bii	50.88 (4)
O3—Cs1B—O4vii	42.3 (2)	Al1xx—O4—Cs1Bii	76.75 (4)
O2i—Cs1B—O4vii	51.1 (3)	Cs1Bxxii—O4—Cs1Bii	135.21 (5)
O2iv—Cs1B—O4vii	40.9 (2)	Cs1Axix—O4—Cs1Bii	136.11 (9)
O3iv—Cs1B—O4vii	87.7 (4)	Cs1Bxix—O4—Cs1Bii	137.4 (3)
O3i—Cs1B—O4vii	73.4 (3)	Cs1Bxxiii—O4—Cs1Bii	135.61 (3)
O2—Cs1B—O4vii	68.2 (2)	Cs1B—O4—Cs1Bii	1.30 (19)
O2iii—Cs1B—O4vii	104.2 (4)	Cs1Bi—O4—Cs1Bii	2.1 (3)
O3ii—Cs1B—O4vii	108.65 (13)	Cs1A—O4—Cs1Bii	0.59 (8)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H···O4vii	0.88 (2)	1.94 (2)	2.7321 (18)	150 (3)

CsGa2As(HAsO4)6	Dx = 3.717 Mg m−3
Mr = 1186.84	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3c:H	Cell parameters from 2582 reflections
a = 8.5199 (10) Å	θ = 2.9–32.6°
c = 50.608 (11) Å	µ = 15.18 mm−1
V = 3181.4 (10) Å3	T = 293 K
Z = 6	Pseudo-octahedra, colourless
F(000) = 3276	0.07 × 0.07 × 0.07 mm

Nonius KappaCCD single-crystal four-circle diffractometer	1134 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.018
φ and ω scans	θmax = 32.6°, θmin = 2.9°
Absorption correction: multi-scan (HKL SCALEPACK; Otwinowski et al., 2003)	h = −12→12
Tmin = 0.416, Tmax = 0.416	k = −10→10
4712 measured reflections	l = −76→76
1293 independent reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.018	All H-atom parameters refined
wR(F2) = 0.041	w = 1/[σ2(Fo2) + (0.0155P)2 + 13.7864P] where P = (Fo2 + 2Fc2)/3
S = 1.16	(Δ/σ)max = 0.004
1293 reflections	Δρmax = 0.86 e Å−3
65 parameters	Δρmin = −0.72 e Å−3
2 restraints	Extinction correction: SHELXL-2016/6 (Sheldrick 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.000080 (16)

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cs1A	0.000000	0.000000	0.750000	0.033 (3)	0.720 (3)
Cs1B	0.000000	−0.030 (5)	0.750000	0.0264 (19)	0.0932 (9)
Ga1	0.333333	0.666667	0.75610 (2)	0.00886 (8)
As2	0.333333	0.666667	0.666667	0.00779 (10)
As1	−0.44795 (3)	−0.41187 (3)	0.71128 (2)	0.00894 (6)
O1	0.3969 (2)	−0.47002 (19)	0.68643 (3)	0.0119 (3)
O2	−0.4545 (2)	−0.27504 (19)	0.73418 (3)	0.0113 (3)
O3	−0.2351 (2)	−0.2915 (2)	0.69800 (4)	0.0203 (3)
O4	0.4903 (2)	−0.1257 (2)	0.77880 (3)	0.0121 (3)
H	−0.179 (5)	−0.350 (5)	0.7009 (7)	0.045 (11)*

	U11	U22	U33	U12	U13	U23
Cs1A	0.030 (4)	0.030 (4)	0.041 (2)	0.015 (2)	0.000	0.000
Cs1B	0.021 (6)	0.024 (4)	0.034 (5)	0.010 (3)	0.002 (2)	0.0011 (11)
Ga1	0.00933 (11)	0.00933 (11)	0.00791 (16)	0.00466 (6)	0.000	0.000
As2	0.00862 (13)	0.00862 (13)	0.00615 (19)	0.00431 (7)	0.000	0.000
As1	0.00989 (10)	0.00944 (10)	0.00872 (9)	0.00576 (8)	0.00007 (7)	0.00054 (7)
O1	0.0154 (7)	0.0121 (6)	0.0097 (6)	0.0081 (6)	−0.0034 (5)	0.0000 (5)
O2	0.0114 (6)	0.0108 (6)	0.0114 (6)	0.0054 (5)	0.0004 (5)	−0.0020 (5)
O3	0.0122 (7)	0.0210 (8)	0.0281 (9)	0.0086 (7)	0.0080 (6)	0.0067 (7)
O4	0.0143 (7)	0.0101 (6)	0.0143 (6)	0.0079 (6)	−0.0036 (5)	−0.0039 (5)

Cs1A—Cs1Bi	0.25 (5)	Cs1B—O2	3.451 (2)
Cs1A—Cs1Bii	0.25 (4)	Cs1B—O2iii	3.451 (2)
Cs1A—O2	3.4719 (16)	Cs1B—O3ii	3.65 (3)
Cs1A—O2iii	3.4719 (15)	Cs1B—O3v	3.65 (3)
Cs1A—O2iv	3.4719 (16)	Cs1B—O2ii	3.70 (4)
Cs1A—O2ii	3.4719 (15)	Cs1B—O2v	3.70 (4)
Cs1A—O2v	3.4719 (15)	Cs1B—O4vi	3.95 (4)
Cs1A—O2i	3.4719 (15)	Cs1B—O4vii	3.95 (4)
Cs1A—O3iii	3.4828 (19)	Cs1B—As1iv	4.043 (19)
Cs1A—O3ii	3.4828 (19)	Cs1B—As1i	4.043 (19)
Cs1A—O3iv	3.4829 (19)	Cs1B—As1iii	4.072 (14)
Cs1A—O3v	3.4829 (19)	Cs1B—As1	4.072 (14)
Cs1A—O3i	3.4829 (19)	Ga1—O2viii	1.9612 (14)
Cs1A—O3	3.483 (2)	Ga1—O2ii	1.9612 (15)
Cs1A—As1iii	4.1625 (5)	Ga1—O2ix	1.9612 (15)
Cs1A—As1v	4.1625 (5)	Ga1—O4x	1.9679 (15)
Cs1A—As1iv	4.1625 (5)	Ga1—O4i	1.9679 (15)
Cs1A—As1ii	4.1625 (5)	Ga1—O4xi	1.9679 (15)
Cs1A—As1i	4.1625 (5)	As2—O1xii	1.8109 (14)
Cs1A—As1	4.1626 (5)	As2—O1xiii	1.8109 (15)
Cs1B—Cs1Bi	0.44 (8)	As2—O1xiv	1.8109 (14)
Cs1B—Cs1Bii	0.44 (7)	As2—O1i	1.8109 (15)
Cs1B—O2iv	3.28 (3)	As2—O1xi	1.8109 (14)
Cs1B—O2i	3.28 (3)	As2—O1x	1.8109 (14)
Cs1B—O3iii	3.383 (16)	As1—O2	1.6646 (14)
Cs1B—O3	3.383 (16)	As1—O4iii	1.6670 (15)
Cs1B—O3iv	3.436 (7)	As1—O1xv	1.7089 (14)
Cs1B—O3i	3.436 (7)	As1—O3	1.7125 (17)
Cs1Bi—Cs1A—Cs1Bii	120.0 (3)	Cs1Bii—Cs1B—O4vii	153.66 (17)
Cs1Bi—Cs1A—O2	153.53 (4)	O2iv—Cs1B—O4vii	52.0 (6)
Cs1Bii—Cs1A—O2	38.9 (2)	O2i—Cs1B—O4vii	43.4 (5)
Cs1Bi—Cs1A—O2iii	38.93 (3)	O3iii—Cs1B—O4vii	42.8 (4)
Cs1Bii—Cs1A—O2iii	153.5 (2)	O3—Cs1B—O4vii	94.6 (9)
O2—Cs1A—O2iii	166.53 (5)	O3iv—Cs1B—O4vii	74.4 (6)
Cs1Bi—Cs1A—O2iv	153.53 (4)	O3i—Cs1B—O4vii	90.2 (7)
Cs1Bii—Cs1A—O2iv	83.3 (3)	O2—Cs1B—O4vii	105.9 (9)
O2—Cs1A—O2iv	52.94 (5)	O2iii—Cs1B—O4vii	69.3 (5)
O2iii—Cs1A—O2iv	114.848 (17)	O3ii—Cs1B—O4vii	155.2 (6)
Cs1Bi—Cs1A—O2ii	38.93 (3)	O3v—Cs1B—O4vii	108.8 (2)
Cs1Bii—Cs1A—O2ii	83.3 (3)	O2ii—Cs1B—O4vii	144.37 (3)
O2—Cs1A—O2ii	114.849 (17)	O2v—Cs1B—O4vii	145.20 (3)
O2iii—Cs1A—O2ii	77.86 (5)	O4vi—Cs1B—O4vii	51.9 (5)
O2iv—Cs1A—O2ii	166.53 (5)	Cs1Bi—Cs1B—As1iv	139.7 (5)
Cs1Bi—Cs1A—O2v	83.27 (2)	Cs1Bii—Cs1B—As1iv	90.7 (7)
Cs1Bii—Cs1A—O2v	38.9 (2)	O2iv—Cs1B—As1iv	23.43 (7)
O2—Cs1A—O2v	77.86 (5)	O2i—Cs1B—As1iv	104.5 (10)
O2iii—Cs1A—O2v	114.847 (17)	O3iii—Cs1B—As1iv	81.1 (5)
O2iv—Cs1A—O2v	114.848 (17)	O3—Cs1B—As1iv	80.2 (5)
O2ii—Cs1A—O2v	52.94 (5)	O3iv—Cs1B—As1iv	24.81 (16)
Cs1Bi—Cs1A—O2i	83.27 (2)	O3i—Cs1B—As1iv	140.9 (11)
Cs1Bii—Cs1A—O2i	153.5 (2)	O2—Cs1B—As1iv	50.4 (2)
O2—Cs1A—O2i	114.848 (17)	O2iii—Cs1B—As1iv	126.7 (7)
O2iii—Cs1A—O2i	52.94 (5)	O3ii—Cs1B—As1iv	124.7 (3)
O2iv—Cs1A—O2i	77.86 (5)	O3v—Cs1B—As1iv	92.41 (13)
O2ii—Cs1A—O2i	114.848 (17)	O2ii—Cs1B—As1iv	141.3 (8)
O2v—Cs1A—O2i	166.53 (5)	O2v—Cs1B—As1iv	91.9 (3)
Cs1Bi—Cs1A—O3iii	77.37 (3)	O4vi—Cs1B—As1iv	66.4 (5)
Cs1Bii—Cs1A—O3iii	130.09 (5)	O4vii—Cs1B—As1iv	66.1 (5)
O2—Cs1A—O3iii	127.26 (4)	Cs1Bi—Cs1B—As1i	90.7 (5)
O2iii—Cs1A—O3iii	45.15 (4)	Cs1Bii—Cs1B—As1i	139.7 (4)
O2iv—Cs1A—O3iii	77.63 (4)	O2iv—Cs1B—As1i	104.5 (10)
O2ii—Cs1A—O3iii	111.42 (4)	O2i—Cs1B—As1i	23.43 (7)
O2v—Cs1A—O3iii	113.36 (4)	O3iii—Cs1B—As1i	80.2 (5)
O2i—Cs1A—O3iii	63.40 (4)	O3—Cs1B—As1i	81.1 (5)
Cs1Bi—Cs1A—O3ii	77.37 (3)	O3iv—Cs1B—As1i	140.9 (11)
Cs1Bii—Cs1A—O3ii	64.82 (14)	O3i—Cs1B—As1i	24.81 (16)
O2—Cs1A—O3ii	77.64 (4)	O2—Cs1B—As1i	126.7 (7)
O2iii—Cs1A—O3ii	111.42 (4)	O2iii—Cs1B—As1i	50.4 (2)
O2iv—Cs1A—O3ii	127.26 (4)	O3ii—Cs1B—As1i	92.41 (13)
O2ii—Cs1A—O3ii	45.15 (4)	O3v—Cs1B—As1i	124.7 (3)
O2v—Cs1A—O3ii	63.40 (4)	O2ii—Cs1B—As1i	91.9 (3)
O2i—Cs1A—O3ii	113.36 (4)	O2v—Cs1B—As1i	141.3 (8)
O3iii—Cs1A—O3ii	154.75 (6)	O4vi—Cs1B—As1i	66.1 (5)
Cs1Bi—Cs1A—O3iv	130.09 (3)	O4vii—Cs1B—As1i	66.4 (5)
Cs1Bii—Cs1A—O3iv	64.82 (15)	As1iv—Cs1B—As1i	126.9 (11)
O2—Cs1A—O3iv	63.40 (4)	Cs1Bi—Cs1B—As1iii	83.1 (5)
O2iii—Cs1A—O3iv	113.36 (4)	Cs1Bii—Cs1B—As1iii	133.8 (4)
O2iv—Cs1A—O3iv	45.15 (4)	O2iv—Cs1B—As1iii	97.9 (8)
O2ii—Cs1A—O3iv	127.26 (4)	O2i—Cs1B—As1iii	50.8 (3)
O2v—Cs1A—O3iv	77.63 (4)	O3iii—Cs1B—As1iii	24.39 (9)
O2i—Cs1A—O3iv	111.42 (4)	O3—Cs1B—As1iii	132.1 (10)
O3iii—Cs1A—O3iv	69.12 (4)	O3iv—Cs1B—As1iii	95.2 (4)
O3ii—Cs1A—O3iv	129.64 (6)	O3i—Cs1B—As1iii	79.1 (3)
Cs1Bi—Cs1A—O3v	64.82 (4)	O2—Cs1B—As1iii	152.4 (10)
Cs1Bii—Cs1A—O3v	77.37 (17)	O2iii—Cs1B—As1iii	23.78 (13)
O2—Cs1A—O3v	111.41 (4)	O3ii—Cs1B—As1iii	131.7 (5)
O2iii—Cs1A—O3v	77.64 (4)	O3v—Cs1B—As1iii	77.69 (14)
O2iv—Cs1A—O3v	113.36 (4)	O2ii—Cs1B—As1iii	96.6 (4)
O2ii—Cs1A—O3v	63.40 (4)	O2v—Cs1B—As1iii	119.1 (6)
O2v—Cs1A—O3v	45.15 (4)	O4vi—Cs1B—As1iii	94.1 (8)
O2i—Cs1A—O3v	127.26 (4)	O4vii—Cs1B—As1iii	48.3 (3)
O3iii—Cs1A—O3v	69.12 (4)	As1iv—Cs1B—As1iii	103.2 (6)
O3ii—Cs1A—O3v	99.81 (6)	As1i—Cs1B—As1iii	58.3 (3)
O3iv—Cs1A—O3v	69.12 (4)	Cs1Bi—Cs1B—As1	133.8 (6)
Cs1Bi—Cs1A—O3i	64.82 (3)	Cs1Bii—Cs1B—As1	83.1 (7)
Cs1Bii—Cs1A—O3i	130.09 (5)	O2iv—Cs1B—As1	50.8 (3)
O2—Cs1A—O3i	113.36 (4)	O2i—Cs1B—As1	97.9 (8)
O2iii—Cs1A—O3i	63.40 (4)	O3iii—Cs1B—As1	132.1 (10)
O2iv—Cs1A—O3i	111.42 (4)	O3—Cs1B—As1	24.39 (9)
O2ii—Cs1A—O3i	77.64 (4)	O3iv—Cs1B—As1	79.2 (3)
O2v—Cs1A—O3i	127.26 (4)	O3i—Cs1B—As1	95.2 (4)
O2i—Cs1A—O3i	45.15 (4)	O2—Cs1B—As1	23.78 (13)
O3iii—Cs1A—O3i	99.81 (6)	O2iii—Cs1B—As1	152.4 (10)
O3ii—Cs1A—O3i	69.12 (5)	O3ii—Cs1B—As1	77.69 (14)
O3iv—Cs1A—O3i	154.75 (5)	O3v—Cs1B—As1	131.7 (5)
O3v—Cs1A—O3i	129.64 (6)	O2ii—Cs1B—As1	119.1 (6)
Cs1Bi—Cs1A—O3	130.09 (3)	O2v—Cs1B—As1	96.6 (4)
Cs1Bii—Cs1A—O3	77.37 (17)	O4vi—Cs1B—As1	48.3 (3)
O2—Cs1A—O3	45.15 (4)	O4vii—Cs1B—As1	94.1 (8)
O2iii—Cs1A—O3	127.26 (4)	As1iv—Cs1B—As1	58.3 (3)
O2iv—Cs1A—O3	63.40 (4)	As1i—Cs1B—As1	103.2 (6)
O2ii—Cs1A—O3	113.36 (4)	As1iii—Cs1B—As1	141.4 (11)
O2v—Cs1A—O3	111.42 (4)	O2viii—Ga1—O2ii	91.15 (6)
O2i—Cs1A—O3	77.63 (4)	O2viii—Ga1—O2ix	91.15 (6)
O3iii—Cs1A—O3	129.64 (6)	O2ii—Ga1—O2ix	91.15 (6)
O3ii—Cs1A—O3	69.12 (5)	O2viii—Ga1—O4x	90.84 (6)
O3iv—Cs1A—O3	99.81 (6)	O2ii—Ga1—O4x	178.00 (6)
O3v—Cs1A—O3	154.75 (6)	O2ix—Ga1—O4x	88.66 (6)
O3i—Cs1A—O3	69.12 (5)	O2viii—Ga1—O4i	88.66 (6)
Cs1Bi—Cs1A—As1iii	60.306 (12)	O2ii—Ga1—O4i	90.84 (6)
Cs1Bii—Cs1A—As1iii	151.64 (4)	O2ix—Ga1—O4i	178.00 (6)
O2—Cs1A—As1iii	146.15 (2)	O4x—Ga1—O4i	89.35 (6)
O2iii—Cs1A—As1iii	22.98 (2)	O2viii—Ga1—O4xi	178.00 (6)
O2iv—Cs1A—As1iii	93.23 (2)	O2ii—Ga1—O4xi	88.66 (6)
O2ii—Cs1A—As1iii	98.62 (2)	O2ix—Ga1—O4xi	90.84 (6)
O2v—Cs1A—As1iii	122.59 (2)	O4x—Ga1—O4xi	89.35 (6)
O2i—Cs1A—As1iii	49.10 (2)	O4i—Ga1—O4xi	89.35 (7)
O3iii—Cs1A—As1iii	23.83 (3)	O2viii—Ga1—Cs1Bx	34.15 (10)
O3ii—Cs1A—As1iii	134.28 (3)	O2ii—Ga1—Cs1Bx	99.2 (3)
O3iv—Cs1A—As1iii	92.90 (3)	O2ix—Ga1—Cs1Bx	123.8 (2)
O3v—Cs1A—As1iii	78.30 (3)	O4x—Ga1—Cs1Bx	82.5 (2)
O3i—Cs1A—As1iii	77.37 (3)	O4i—Ga1—Cs1Bx	55.68 (16)
O3—Cs1A—As1iii	125.98 (3)	O4xi—Ga1—Cs1Bx	143.97 (12)
Cs1Bi—Cs1A—As1v	67.383 (11)	O2viii—Ga1—Cs1Bi	123.79 (17)
Cs1Bii—Cs1A—As1v	60.3 (2)	O2ii—Ga1—Cs1Bi	34.15 (9)
O2—Cs1A—As1v	98.62 (2)	O2ix—Ga1—Cs1Bi	99.2 (2)
O2iii—Cs1A—As1v	93.23 (2)	O4x—Ga1—Cs1Bi	143.97 (10)
O2iv—Cs1A—As1v	122.59 (2)	O4i—Ga1—Cs1Bi	82.5 (2)
O2ii—Cs1A—As1v	49.10 (2)	O4xi—Ga1—Cs1Bi	55.68 (16)
O2v—Cs1A—As1v	22.98 (2)	Cs1Bx—Ga1—Cs1Bi	119.57 (2)
O2i—Cs1A—As1v	146.15 (2)	O2viii—Ga1—Cs1Bxi	99.2 (3)
O3iii—Cs1A—As1v	92.90 (3)	O2ii—Ga1—Cs1Bxi	123.79 (19)
O3ii—Cs1A—As1v	77.37 (3)	O2ix—Ga1—Cs1Bxi	34.15 (12)
O3iv—Cs1A—As1v	78.29 (3)	O4x—Ga1—Cs1Bxi	55.68 (19)
O3v—Cs1A—As1v	23.82 (3)	O4i—Ga1—Cs1Bxi	143.97 (13)
O3i—Cs1A—As1v	125.98 (3)	O4xi—Ga1—Cs1Bxi	82.5 (3)
O3—Cs1A—As1v	134.28 (3)	Cs1Bx—Ga1—Cs1Bxi	119.575 (14)
As1iii—Cs1A—As1v	99.647 (7)	Cs1Bi—Ga1—Cs1Bxi	119.575 (5)
Cs1Bi—Cs1A—As1iv	151.635 (12)	O2viii—Ga1—Cs1Ax	33.70 (4)
Cs1Bii—Cs1A—As1iv	67.4 (2)	O2ii—Ga1—Cs1Ax	100.57 (4)
O2—Cs1A—As1iv	49.10 (2)	O2ix—Ga1—Cs1Ax	122.84 (4)
O2iii—Cs1A—As1iv	122.59 (2)	O4x—Ga1—Cs1Ax	81.19 (4)
O2iv—Cs1A—As1iv	22.98 (2)	O4i—Ga1—Cs1Ax	56.58 (4)
O2ii—Cs1A—As1iv	146.15 (2)	O4xi—Ga1—Cs1Ax	144.45 (5)
O2v—Cs1A—As1iv	93.23 (2)	Cs1Bx—Ga1—Cs1Ax	1.6 (3)
O2i—Cs1A—As1iv	98.62 (2)	Cs1Bi—Ga1—Cs1Ax	121.1 (3)
O3iii—Cs1A—As1iv	78.30 (3)	Cs1Bxi—Ga1—Cs1Ax	118.1 (3)
O3ii—Cs1A—As1iv	125.98 (3)	O2viii—Ga1—Cs1A	122.84 (4)
O3iv—Cs1A—As1iv	23.83 (3)	O2ii—Ga1—Cs1A	33.70 (4)
O3v—Cs1A—As1iv	92.90 (3)	O2ix—Ga1—Cs1A	100.57 (4)
O3i—Cs1A—As1iv	134.28 (3)	O4x—Ga1—Cs1A	144.45 (5)
O3—Cs1A—As1iv	77.37 (3)	O4i—Ga1—Cs1A	81.19 (4)
As1iii—Cs1A—As1iv	99.647 (7)	O4xi—Ga1—Cs1A	56.58 (4)
As1v—Cs1A—As1iv	99.647 (8)	Cs1Bx—Ga1—Cs1A	118.1 (3)
Cs1Bi—Cs1A—As1ii	60.306 (11)	Cs1Bi—Ga1—Cs1A	1.6 (3)
Cs1Bii—Cs1A—As1ii	67.4 (2)	Cs1Bxi—Ga1—Cs1A	121.1 (3)
O2—Cs1A—As1ii	93.23 (2)	Cs1Ax—Ga1—Cs1A	119.612 (1)
O2iii—Cs1A—As1ii	98.62 (2)	O2viii—Ga1—Cs1Aix	100.57 (4)
O2iv—Cs1A—As1ii	146.15 (2)	O2ii—Ga1—Cs1Aix	122.84 (4)
O2ii—Cs1A—As1ii	22.98 (2)	O2ix—Ga1—Cs1Aix	33.70 (4)
O2v—Cs1A—As1ii	49.10 (2)	O4x—Ga1—Cs1Aix	56.58 (4)
O2i—Cs1A—As1ii	122.59 (2)	O4i—Ga1—Cs1Aix	144.45 (5)
O3iii—Cs1A—As1ii	134.28 (3)	O4xi—Ga1—Cs1Aix	81.19 (4)
O3ii—Cs1A—As1ii	23.83 (3)	Cs1Bx—Ga1—Cs1Aix	121.1 (3)
O3iv—Cs1A—As1ii	125.98 (3)	Cs1Bi—Ga1—Cs1Aix	118.1 (3)
O3v—Cs1A—As1ii	77.37 (3)	Cs1Bxi—Ga1—Cs1Aix	1.6 (3)
O3i—Cs1A—As1ii	78.30 (3)	Cs1Ax—Ga1—Cs1Aix	119.612 (1)
O3—Cs1A—As1ii	92.90 (3)	Cs1A—Ga1—Cs1Aix	119.612 (1)
As1iii—Cs1A—As1ii	120.612 (7)	O1xii—As2—O1xiii	92.46 (6)
As1v—Cs1A—As1ii	56.729 (13)	O1xii—As2—O1xiv	92.45 (6)
As1iv—Cs1A—As1ii	134.766 (6)	O1xiii—As2—O1xiv	92.45 (6)
Cs1Bi—Cs1A—As1i	67.383 (6)	O1xii—As2—O1i	87.55 (6)
Cs1Bii—Cs1A—As1i	151.64 (4)	O1xiii—As2—O1i	180.00 (12)
O2—Cs1A—As1i	122.59 (2)	O1xiv—As2—O1i	87.55 (6)
O2iii—Cs1A—As1i	49.10 (2)	O1xii—As2—O1xi	180.0
O2iv—Cs1A—As1i	98.62 (2)	O1xiii—As2—O1xi	87.55 (6)
O2ii—Cs1A—As1i	93.23 (2)	O1xiv—As2—O1xi	87.55 (6)
O2v—Cs1A—As1i	146.15 (2)	O1i—As2—O1xi	92.45 (6)
O2i—Cs1A—As1i	22.98 (2)	O1xii—As2—O1x	87.55 (6)
O3iii—Cs1A—As1i	77.37 (3)	O1xiii—As2—O1x	87.55 (6)
O3ii—Cs1A—As1i	92.90 (3)	O1xiv—As2—O1x	180.00 (8)
O3iv—Cs1A—As1i	134.29 (3)	O1i—As2—O1x	92.45 (6)
O3v—Cs1A—As1i	125.98 (3)	O1xi—As2—O1x	92.45 (6)
O3i—Cs1A—As1i	23.82 (3)	O2—As1—O4iii	117.09 (7)
O3—Cs1A—As1i	78.30 (3)	O2—As1—O1xv	115.06 (7)
As1iii—Cs1A—As1i	56.729 (13)	O4iii—As1—O1xv	100.76 (7)
As1v—Cs1A—As1i	134.766 (7)	O2—As1—O3	104.49 (8)
As1iv—Cs1A—As1i	120.612 (7)	O4iii—As1—O3	110.80 (8)
As1ii—Cs1A—As1i	99.647 (9)	O1xv—As1—O3	108.60 (8)
Cs1Bi—Cs1A—As1	151.634 (13)	O2—As1—Cs1Bii	51.6 (5)
Cs1Bii—Cs1A—As1	60.3 (2)	O4iii—As1—Cs1Bii	113.4 (3)
O2—Cs1A—As1	22.98 (2)	O1xv—As1—Cs1Bii	145.8 (3)
O2iii—Cs1A—As1	146.15 (2)	O3—As1—Cs1Bii	57.4 (4)
O2iv—Cs1A—As1	49.10 (2)	O2—As1—Cs1B	56.7 (4)
O2ii—Cs1A—As1	122.58 (2)	O4iii—As1—Cs1B	108.4 (6)
O2v—Cs1A—As1	98.62 (2)	O1xv—As1—Cs1B	150.0 (5)
O2i—Cs1A—As1	93.23 (2)	O3—As1—Cs1B	54.65 (13)
O3iii—Cs1A—As1	125.98 (3)	Cs1Bii—As1—Cs1B	6.2 (11)
O3ii—Cs1A—As1	78.29 (3)	O2—As1—Cs1A	54.52 (5)
O3iv—Cs1A—As1	77.37 (3)	O4iii—As1—Cs1A	111.50 (5)
O3v—Cs1A—As1	134.29 (3)	O1xv—As1—Cs1A	147.27 (5)
O3i—Cs1A—As1	92.89 (3)	O3—As1—Cs1A	55.24 (6)
O3—Cs1A—As1	23.82 (3)	Cs1Bii—As1—Cs1A	3.1 (5)
As1iii—Cs1A—As1	134.766 (6)	Cs1B—As1—Cs1A	3.3 (6)
As1v—Cs1A—As1	120.613 (7)	O2—As1—Cs1Bi	55.25 (13)
As1iv—Cs1A—As1	56.731 (13)	O4iii—As1—Cs1Bi	112.60 (18)
As1ii—Cs1A—As1	99.647 (9)	O1xv—As1—Cs1Bi	146.0 (2)
As1i—Cs1A—As1	99.646 (9)	O3—As1—Cs1Bi	53.9 (2)
Cs1Bi—Cs1B—Cs1Bii	60.00 (6)	Cs1Bii—As1—Cs1Bi	3.7 (6)
Cs1Bi—Cs1B—O2iv	162.9 (4)	Cs1B—As1—Cs1Bi	4.2 (7)
Cs1Bii—Cs1B—O2iv	109.7 (7)	Cs1A—As1—Cs1Bi	1.6 (3)
Cs1Bi—Cs1B—O2i	109.7 (5)	O2—As1—Cs1Bxvi	93.88 (14)
Cs1Bii—Cs1B—O2i	162.9 (3)	O4iii—As1—Cs1Bxvi	42.74 (6)
O2iv—Cs1B—O2i	83.4 (10)	O1xv—As1—Cs1Bxvi	79.72 (19)
Cs1Bi—Cs1B—O3iii	93.3 (6)	O3—As1—Cs1Bxvi	153.38 (6)
Cs1Bii—Cs1B—O3iii	124.8 (5)	Cs1Bii—As1—Cs1Bxvi	127.8 (3)
O2iv—Cs1B—O3iii	81.8 (7)	Cs1B—As1—Cs1Bxvi	127.1 (4)
O2i—Cs1B—O3iii	66.5 (5)	Cs1A—As1—Cs1Bxvi	128.4 (2)
Cs1Bi—Cs1B—O3	124.8 (6)	Cs1Bi—As1—Cs1Bxvi	129.96 (7)
Cs1Bii—Cs1B—O3	93.3 (7)	O2—As1—Cs1Axvii	94.63 (5)
O2iv—Cs1B—O3	66.5 (5)	O4iii—As1—Cs1Axvii	42.93 (5)
O2i—Cs1B—O3	81.8 (7)	O1xv—As1—Cs1Axvii	78.68 (5)
O3iii—Cs1B—O3	137.4 (14)	O3—As1—Cs1Axvii	153.41 (6)
Cs1Bi—Cs1B—O3iv	116.2 (7)	Cs1Bii—As1—Cs1Axvii	128.92 (12)
Cs1Bii—Cs1B—O3iv	79.3 (8)	Cs1B—As1—Cs1Axvii	128.2 (2)
O2iv—Cs1B—O3iv	46.8 (3)	Cs1A—As1—Cs1Axvii	129.479 (13)
O2i—Cs1B—O3iv	117.7 (11)	Cs1Bi—As1—Cs1Axvii	131.1 (3)
O3iii—Cs1B—O3iv	70.8 (3)	Cs1Bxvi—As1—Cs1Axvii	1.1 (2)
O3—Cs1B—O3iv	102.8 (5)	O2—As1—Cs1Bxviii	93.5 (2)
Cs1Bi—Cs1B—O3i	79.3 (6)	O4iii—As1—Cs1Bxviii	45.4 (4)
Cs1Bii—Cs1B—O3i	116.2 (5)	O1xv—As1—Cs1Bxviii	77.2 (3)
O2iv—Cs1B—O3i	117.7 (11)	O3—As1—Cs1Bxviii	155.7 (4)
O2i—Cs1B—O3i	46.8 (3)	Cs1Bii—As1—Cs1Bxviii	129.53 (5)
O3iii—Cs1B—O3i	102.8 (5)	Cs1B—As1—Cs1Bxviii	129.12 (6)
O3—Cs1B—O3i	70.8 (3)	Cs1A—As1—Cs1Bxviii	130.25 (12)
O3iv—Cs1B—O3i	163.0 (14)	Cs1Bi—As1—Cs1Bxviii	131.8 (4)
Cs1Bi—Cs1B—O2	121.6 (7)	Cs1Bxvi—As1—Cs1Bxviii	3.0 (5)
Cs1Bii—Cs1B—O2	63.4 (9)	Cs1Axvii—As1—Cs1Bxviii	2.5 (4)
O2iv—Cs1B—O2	54.7 (3)	O2—As1—Cs1Bxvii	96.5 (3)
O2i—Cs1B—O2	120.8 (10)	O4iii—As1—Cs1Bxvii	40.7 (4)
O3iii—Cs1B—O2	131.5 (6)	O1xv—As1—Cs1Bxvii	79.23 (14)
O3—Cs1B—O2	45.98 (12)	O3—As1—Cs1Bxvii	151.1 (4)
O3iv—Cs1B—O2	64.09 (9)	Cs1Bii—As1—Cs1Bxvii	129.27 (4)
O3i—Cs1B—O2	115.1 (2)	Cs1B—As1—Cs1Bxvii	128.2 (3)
Cs1Bi—Cs1B—O2iii	63.4 (7)	Cs1A—As1—Cs1Bxvii	129.66 (3)
Cs1Bii—Cs1B—O2iii	121.6 (5)	Cs1Bi—As1—Cs1Bxvii	131.2 (3)
O2iv—Cs1B—O2iii	120.8 (10)	Cs1Bxvi—As1—Cs1Bxvii	2.7 (4)
O2i—Cs1B—O2iii	54.7 (3)	Cs1Axvii—As1—Cs1Bxvii	2.3 (4)
O3iii—Cs1B—O2iii	45.98 (12)	Cs1Bxviii—As1—Cs1Bxvii	4.7 (8)
O3—Cs1B—O2iii	131.5 (6)	As1xix—O1—As2xx	131.05 (8)
O3iv—Cs1B—O2iii	115.1 (2)	As1xix—O1—Cs1Bvii	80.6 (3)
O3i—Cs1B—O2iii	64.09 (9)	As2xx—O1—Cs1Bvii	130.0 (2)
O2—Cs1B—O2iii	174.9 (14)	As1—O2—Ga1xvii	124.47 (8)
Cs1Bi—Cs1B—O3ii	57.6 (4)	As1—O2—Cs1Bii	105.0 (5)
Cs1Bii—Cs1B—O3ii	49.5 (3)	Ga1xvii—O2—Cs1Bii	126.2 (4)
O2iv—Cs1B—O3ii	128.02 (8)	As1—O2—Cs1B	99.5 (5)
O2i—Cs1B—O3ii	113.88 (5)	Ga1xvii—O2—Cs1B	129.4 (2)
O3iii—Cs1B—O3ii	150.1 (9)	Cs1Bii—O2—Cs1B	6.9 (12)
O3—Cs1B—O3ii	68.2 (2)	As1—O2—Cs1A	102.50 (6)
O3iv—Cs1B—O3ii	125.6 (7)	Ga1xvii—O2—Cs1A	128.04 (6)
O3i—Cs1B—O3ii	67.7 (3)	Cs1Bii—O2—Cs1A	2.8 (5)
O2—Cs1B—O3ii	75.7 (4)	Cs1B—O2—Cs1A	4.2 (7)
O2iii—Cs1B—O3ii	108.0 (6)	As1—O2—Cs1Bi	103.06 (11)
Cs1Bi—Cs1B—O3v	49.5 (4)	Ga1xvii—O2—Cs1Bi	128.20 (6)
Cs1Bii—Cs1B—O3v	57.6 (3)	Cs1Bii—O2—Cs1Bi	2.0 (4)
O2iv—Cs1B—O3v	113.88 (5)	Cs1B—O2—Cs1Bi	5.8 (10)
O2i—Cs1B—O3v	128.02 (8)	Cs1A—O2—Cs1Bi	1.8 (3)
O3iii—Cs1B—O3v	68.2 (2)	As1—O3—Cs1B	100.96 (8)
O3—Cs1B—O3v	150.1 (8)	As1—O3—Cs1Bii	97.8 (5)
O3iv—Cs1B—O3v	67.7 (3)	Cs1B—O3—Cs1Bii	7.3 (13)
O3i—Cs1B—O3v	125.6 (7)	As1—O3—Cs1A	100.94 (7)
O2—Cs1B—O3v	107.9 (6)	Cs1B—O3—Cs1A	3.9 (7)
O2iii—Cs1B—O3v	75.7 (4)	Cs1Bii—O3—Cs1A	4.1 (7)
O3ii—Cs1B—O3v	93.7 (10)	As1—O3—Cs1Bi	103.8 (5)
Cs1Bi—Cs1B—O2ii	15.07 (4)	Cs1B—O3—Cs1Bi	5.7 (10)
Cs1Bii—Cs1B—O2ii	52.57 (10)	Cs1Bii—O3—Cs1Bi	6.2 (10)
O2iv—Cs1B—O2ii	162.2 (7)	Cs1A—O3—Cs1Bi	3.1 (5)
O2i—Cs1B—O2ii	113.8 (2)	As1iii—O4—Ga1xx	126.05 (8)
O3iii—Cs1B—O2ii	108.3 (6)	As1iii—O4—Cs1Bxxi	120.63 (19)
O3—Cs1B—O2ii	110.2 (6)	Ga1xx—O4—Cs1Bxxi	100.03 (7)
O3iv—Cs1B—O2ii	121.6 (10)	As1iii—O4—Cs1Axix	121.31 (6)
O3i—Cs1B—O2ii	75.2 (4)	Ga1xx—O4—Cs1Axix	100.29 (5)
O2—Cs1B—O2ii	109.7 (9)	Cs1Bxxi—O4—Cs1Axix	1.5 (3)
O2iii—Cs1B—O2ii	75.1 (5)	As1iii—O4—Cs1Bxix	124.5 (6)
O3ii—Cs1B—O2ii	42.6 (4)	Ga1xx—O4—Cs1Bxix	98.2 (4)
O3v—Cs1B—O2ii	59.6 (6)	Cs1Bxxi—O4—Cs1Bxix	4.5 (8)
Cs1Bi—Cs1B—O2v	52.6 (3)	Cs1Axix—O4—Cs1Bxix	3.3 (5)
Cs1Bii—Cs1B—O2v	15.07 (11)	As1iii—O4—Cs1Bxxii	118.8 (4)
O2iv—Cs1B—O2v	113.8 (2)	Ga1xx—O4—Cs1Bxxii	102.6 (4)
O2i—Cs1B—O2v	162.2 (7)	Cs1Bxxi—O4—Cs1Bxxii	2.6 (4)
O3iii—Cs1B—O2v	110.2 (6)	Cs1Axix—O4—Cs1Bxxii	2.6 (4)
O3—Cs1B—O2v	108.3 (6)	Cs1Bxix—O4—Cs1Bxxii	5.7 (10)
O3iv—Cs1B—O2v	75.2 (4)	As1iii—O4—Cs1B	52.6 (4)
O3i—Cs1B—O2v	121.6 (10)	Ga1xx—O4—Cs1B	73.8 (4)
O2—Cs1B—O2v	75.1 (5)	Cs1Bxxi—O4—Cs1B	134.69 (14)
O2iii—Cs1B—O2v	109.7 (9)	Cs1Axix—O4—Cs1B	136.21 (14)
O3ii—Cs1B—O2v	59.6 (6)	Cs1Bxix—O4—Cs1B	138.2 (4)
O3v—Cs1B—O2v	42.6 (4)	Cs1Bxxii—O4—Cs1B	135.56 (6)
O2ii—Cs1B—O2v	49.4 (6)	As1iii—O4—Cs1Bi	48.6 (3)
Cs1Bi—Cs1B—O4vi	153.66 (8)	Ga1xx—O4—Cs1Bi	78.2 (4)
Cs1Bii—Cs1B—O4vi	131.4 (4)	Cs1Bxxi—O4—Cs1Bi	132.1 (6)
O2iv—Cs1B—O4vi	43.4 (5)	Cs1Axix—O4—Cs1Bi	133.6 (4)
O2i—Cs1B—O4vi	52.0 (6)	Cs1Bxix—O4—Cs1Bi	135.86 (5)
O3iii—Cs1B—O4vi	94.6 (9)	Cs1Bxxii—O4—Cs1Bi	132.7 (5)
O3—Cs1B—O4vi	42.8 (4)	Cs1B—O4—Cs1Bi	5.1 (9)
O3iv—Cs1B—O4vi	90.2 (7)	As1iii—O4—Cs1A	50.49 (4)
O3i—Cs1B—O4vi	74.4 (6)	Ga1xx—O4—Cs1A	76.01 (4)
O2—Cs1B—O4vi	69.3 (5)	Cs1Bxxi—O4—Cs1A	133.9 (3)
O2iii—Cs1B—O4vi	105.9 (9)	Cs1Axix—O4—Cs1A	135.46 (4)
O3ii—Cs1B—O4vi	108.8 (2)	Cs1Bxix—O4—Cs1A	137.6 (3)
O3v—Cs1B—O4vi	155.2 (6)	Cs1Bxxii—O4—Cs1A	134.68 (14)
O2ii—Cs1B—O4vi	145.19 (3)	Cs1B—O4—Cs1A	2.3 (4)
O2v—Cs1B—O4vi	144.37 (3)	Cs1Bi—O4—Cs1A	2.8 (5)
Cs1Bi—Cs1B—O4vii	131.4 (2)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H···O4vi	0.86 (2)	1.93 (2)	2.727 (2)	154 (3)

TlGa2As(HAsO4)6	Dx = 3.965 Mg m−3
Mr = 1258.30	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3c:H	Cell parameters from 2570 reflections
a = 8.484 (1) Å	θ = 2.4–32.6°
c = 50.724 (11) Å	µ = 21.18 mm−1
V = 3161.9 (10) Å3	T = 293 K
Z = 6	Large pseudo-octahedra, colourless
F(000) = 3432	0.08 × 0.07 × 0.05 mm

Nonius KappaCCD single-crystal four-circle diffractometer	1129 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.024
φ and ω scans	θmax = 32.6°, θmin = 2.4°
Absorption correction: multi-scan HKL SCALEPACK (Otwinowski et al., 2003)	h = −12→12
Tmin = 0.200, Tmax = 0.347	k = −10→10
4682 measured reflections	l = −76→76
1285 independent reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.018	All H-atom parameters refined
wR(F2) = 0.041	w = 1/[σ2(Fo2) + (0.0174P)2 + 10.0458P] where P = (Fo2 + 2Fc2)/3
S = 1.10	(Δ/σ)max = 0.005
1285 reflections	Δρmax = 0.74 e Å−3
71 parameters	Δρmin = −0.73 e Å−3
2 restraints	Extinction correction: SHELXL-2016/6 (Sheldrick 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.000237 (18)

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Tl1A	0.000000	0.000000	0.750000	0.074 (4)	0.329 (3)
Tl1B	0.000000	−0.0480 (7)	0.750000	0.0496 (15)	0.1294 (11)
Tl1C	0.000000	−0.0903 (10)	0.750000	0.0387 (10)	0.0941 (11)
Ga1	0.333333	0.666667	0.75604 (2)	0.00849 (8)
As2	0.333333	0.666667	0.666667	0.00754 (9)
As1	−0.44448 (3)	−0.40820 (3)	0.71139 (2)	0.00861 (6)
O1	0.40173 (19)	−0.46663 (18)	0.68629 (3)	0.0112 (3)
O2	−0.45247 (19)	−0.27070 (18)	0.73408 (3)	0.0116 (3)
O3	−0.2297 (2)	−0.2872 (2)	0.69852 (4)	0.0209 (3)
O4	0.48864 (18)	−0.12491 (19)	0.77863 (3)	0.0117 (3)
H	−0.176 (5)	−0.351 (5)	0.7005 (8)	0.069 (14)*

	U11	U22	U33	U12	U13	U23
Tl1A	0.056 (4)	0.056 (4)	0.109 (4)	0.028 (2)	0.000	0.000
Tl1B	0.061 (2)	0.029 (3)	0.069 (2)	0.0305 (10)	0.0008 (16)	0.0004 (8)
Tl1C	0.0285 (14)	0.030 (3)	0.0566 (17)	0.0142 (7)	0.0073 (11)	0.0037 (5)
Ga1	0.00891 (11)	0.00891 (11)	0.00765 (16)	0.00446 (5)	0.000	0.000
As2	0.00849 (13)	0.00849 (13)	0.00563 (19)	0.00425 (6)	0.000	0.000
As1	0.00960 (10)	0.00911 (10)	0.00843 (9)	0.00564 (7)	0.00016 (6)	0.00061 (6)
O1	0.0147 (6)	0.0116 (6)	0.0096 (6)	0.0082 (5)	−0.0029 (5)	−0.0001 (5)
O2	0.0112 (6)	0.0109 (6)	0.0125 (6)	0.0055 (5)	0.0005 (5)	−0.0023 (5)
O3	0.0137 (7)	0.0206 (8)	0.0291 (9)	0.0092 (6)	0.0089 (6)	0.0085 (7)
O4	0.0133 (6)	0.0105 (6)	0.0136 (6)	0.0077 (5)	−0.0024 (5)	−0.0032 (5)

Tl1A—Tl1Bi	0.408 (7)	Tl1B—O4vii	3.810 (6)
Tl1A—Tl1Bii	0.408 (6)	Tl1B—As1iv	3.936 (3)
Tl1A—Tl1C	0.766 (9)	Tl1B—As1i	3.936 (3)
Tl1A—Tl1Ci	0.766 (9)	Tl1C—Tl1Ci	1.327 (15)
Tl1A—Tl1Cii	0.766 (9)	Tl1C—Tl1Cii	1.327 (15)
Tl1A—O3	3.4357 (19)	Tl1C—O2iv	2.883 (6)
Tl1A—O3iii	3.4358 (19)	Tl1C—O2i	2.883 (6)
Tl1A—O3i	3.4358 (19)	Tl1C—O3	3.186 (3)
Tl1A—O3iv	3.4358 (19)	Tl1C—O3v	3.186 (3)
Tl1A—O3v	3.4358 (19)	Tl1C—O3iv	3.3574 (19)
Tl1A—O3ii	3.4358 (19)	Tl1C—O3i	3.3574 (19)
Tl1A—O2v	3.4419 (15)	Tl1C—O2v	3.4432 (18)
Tl1A—O2iv	3.4419 (15)	Tl1C—O2	3.4432 (18)
Tl1A—O2ii	3.4419 (15)	Tl1C—O4vi	3.494 (8)
Tl1A—O2iii	3.4419 (14)	Tl1C—O4vii	3.494 (8)
Tl1A—O2i	3.4419 (14)	Tl1C—As1iv	3.802 (3)
Tl1A—O2	3.4419 (15)	Tl1C—As1i	3.802 (3)
Tl1A—As1v	4.1219 (5)	Tl1C—As1v	3.8935 (19)
Tl1A—As1iii	4.1219 (5)	Tl1C—As1	3.8936 (19)
Tl1A—As1iv	4.1219 (5)	Tl1C—O3iii	3.969 (7)
Tl1B—Tl1Bi	0.706 (11)	Ga1—O4viii	1.9609 (14)
Tl1B—Tl1Bii	0.706 (11)	Ga1—O4ix	1.9609 (15)
Tl1B—Tl1Ci	1.032 (12)	Ga1—O4i	1.9609 (14)
Tl1B—Tl1Cii	1.032 (11)	Ga1—O2x	1.9648 (14)
Tl1B—O2iv	3.134 (5)	Ga1—O2ii	1.9648 (15)
Tl1B—O2i	3.134 (5)	Ga1—O2xi	1.9648 (14)
Tl1B—O3	3.283 (3)	As2—O1xii	1.8062 (14)
Tl1B—O3v	3.283 (3)	As2—O1xiii	1.8062 (14)
Tl1B—O3i	3.373 (2)	As2—O1ix	1.8062 (14)
Tl1B—O3iv	3.373 (2)	As2—O1xiv	1.8062 (14)
Tl1B—O2v	3.4213 (15)	As2—O1i	1.8063 (14)
Tl1B—O2	3.4213 (15)	As2—O1viii	1.8063 (14)
Tl1B—O3iii	3.709 (5)	As1—O2	1.6641 (14)
Tl1B—O3ii	3.709 (5)	As1—O4v	1.6672 (14)
Tl1B—O2ii	3.810 (6)	As1—O1xv	1.7094 (14)
Tl1B—O2iii	3.810 (6)	As1—O3	1.7115 (16)
Tl1B—O4vi	3.810 (6)
Tl1Bi—Tl1A—Tl1Bii	120.00 (2)	O2i—Tl1C—O3i	49.88 (5)
Tl1Bi—Tl1A—Tl1C	120.000 (17)	O3—Tl1C—O3i	72.40 (6)
Tl1Bii—Tl1A—Tl1C	120.00 (7)	O3v—Tl1C—O3i	107.87 (7)
Tl1Bi—Tl1A—Tl1Ci	0 (2)	O3iv—Tl1C—O3i	178.8 (3)
Tl1Bii—Tl1A—Tl1Ci	120.00 (2)	Tl1A—Tl1C—O2v	83.51 (14)
Tl1C—Tl1A—Tl1Ci	120.000 (19)	Tl1Bi—Tl1C—O2v	64.1 (2)
Tl1Bi—Tl1A—Tl1Cii	120.000 (17)	Tl1Bii—Tl1C—O2v	102.9 (3)
Tl1Bii—Tl1A—Tl1Cii	0.000 (19)	Tl1Ci—Tl1C—O2v	54.51 (14)
Tl1C—Tl1A—Tl1Cii	120.00 (5)	Tl1Cii—Tl1C—O2v	112.64 (13)
Tl1Ci—Tl1A—Tl1Cii	120.000 (17)	O2iv—Tl1C—O2v	132.5 (2)
Tl1Bi—Tl1A—O3	129.66 (3)	O2i—Tl1C—O2v	58.33 (6)
Tl1Bii—Tl1A—O3	77.72 (3)	O3—Tl1C—O2v	136.75 (5)
Tl1C—Tl1A—O3	64.82 (3)	O3v—Tl1C—O2v	47.23 (4)
Tl1Ci—Tl1A—O3	129.66 (3)	O3iv—Tl1C—O2v	115.03 (5)
Tl1Cii—Tl1A—O3	77.72 (3)	O3i—Tl1C—O2v	64.82 (4)
Tl1Bi—Tl1A—O3iii	64.82 (3)	Tl1A—Tl1C—O2	83.51 (14)
Tl1Bii—Tl1A—O3iii	77.72 (3)	Tl1Bi—Tl1C—O2	102.9 (3)
Tl1C—Tl1A—O3iii	129.65 (3)	Tl1Bii—Tl1C—O2	64.1 (2)
Tl1Ci—Tl1A—O3iii	64.82 (3)	Tl1Ci—Tl1C—O2	112.64 (14)
Tl1Cii—Tl1A—O3iii	77.72 (3)	Tl1Cii—Tl1C—O2	54.51 (15)
O3—Tl1A—O3iii	155.44 (5)	O2iv—Tl1C—O2	58.33 (6)
Tl1Bi—Tl1A—O3i	64.82 (3)	O2i—Tl1C—O2	132.5 (2)
Tl1Bii—Tl1A—O3i	129.65 (3)	O3—Tl1C—O2	47.23 (4)
Tl1C—Tl1A—O3i	77.72 (3)	O3v—Tl1C—O2	136.75 (5)
Tl1Ci—Tl1A—O3i	64.82 (3)	O3iv—Tl1C—O2	64.82 (4)
Tl1Cii—Tl1A—O3i	129.65 (3)	O3i—Tl1C—O2	115.03 (5)
O3—Tl1A—O3i	68.50 (4)	O2v—Tl1C—O2	167.0 (3)
O3iii—Tl1A—O3i	129.64 (6)	Tl1A—Tl1C—O4vi	150.55 (7)
Tl1Bi—Tl1A—O3iv	129.65 (3)	Tl1Bi—Tl1C—O4vi	136.76 (15)
Tl1Bii—Tl1A—O3iv	64.82 (3)	Tl1Bii—Tl1C—O4vi	155.25 (6)
Tl1C—Tl1A—O3iv	77.72 (3)	Tl1Ci—Tl1C—O4vi	128.52 (6)
Tl1Ci—Tl1A—O3iv	129.65 (3)	Tl1Cii—Tl1C—O4vi	152.31 (4)
Tl1Cii—Tl1A—O3iv	64.82 (3)	O2iv—Tl1C—O4vi	58.91 (14)
O3—Tl1A—O3iv	100.69 (6)	O2i—Tl1C—O4vi	49.76 (12)
O3iii—Tl1A—O3iv	68.50 (4)	O3—Tl1C—O4vi	106.8 (2)
O3i—Tl1A—O3iv	155.44 (5)	O3v—Tl1C—O4vi	47.94 (9)
Tl1Bi—Tl1A—O3v	77.72 (3)	O3iv—Tl1C—O4vi	81.43 (12)
Tl1Bii—Tl1A—O3v	129.65 (3)	O3i—Tl1C—O4vi	99.64 (15)
Tl1C—Tl1A—O3v	64.82 (3)	O2v—Tl1C—O4vi	75.36 (9)
Tl1Ci—Tl1A—O3v	77.72 (3)	O2—Tl1C—O4vi	116.71 (18)
Tl1Cii—Tl1A—O3v	129.65 (3)	Tl1A—Tl1C—O4vii	150.55 (7)
O3—Tl1A—O3v	129.64 (6)	Tl1Bi—Tl1C—O4vii	155.24 (6)
O3iii—Tl1A—O3v	68.50 (4)	Tl1Bii—Tl1C—O4vii	136.76 (16)
O3i—Tl1A—O3v	100.69 (5)	Tl1Ci—Tl1C—O4vii	152.31 (4)
O3iv—Tl1A—O3v	68.50 (4)	Tl1Cii—Tl1C—O4vii	128.52 (7)
Tl1Bi—Tl1A—O3ii	77.72 (3)	O2iv—Tl1C—O4vii	49.76 (12)
Tl1Bii—Tl1A—O3ii	64.82 (3)	O2i—Tl1C—O4vii	58.91 (15)
Tl1C—Tl1A—O3ii	129.65 (3)	O3—Tl1C—O4vii	47.94 (9)
Tl1Ci—Tl1A—O3ii	77.72 (3)	O3v—Tl1C—O4vii	106.8 (2)
Tl1Cii—Tl1A—O3ii	64.82 (3)	O3iv—Tl1C—O4vii	99.64 (15)
O3—Tl1A—O3ii	68.50 (4)	O3i—Tl1C—O4vii	81.43 (12)
O3iii—Tl1A—O3ii	100.69 (5)	O2v—Tl1C—O4vii	116.71 (18)
O3i—Tl1A—O3ii	68.50 (4)	O2—Tl1C—O4vii	75.36 (9)
O3iv—Tl1A—O3ii	129.64 (6)	O4vi—Tl1C—O4vii	58.90 (15)
O3v—Tl1A—O3ii	155.44 (6)	Tl1A—Tl1C—As1iv	109.57 (12)
Tl1Bi—Tl1A—O2v	38.59 (2)	Tl1Bi—Tl1C—As1iv	125.8 (2)
Tl1Bii—Tl1A—O2v	153.03 (3)	Tl1Bii—Tl1C—As1iv	92.58 (19)
Tl1C—Tl1A—O2v	83.71 (3)	Tl1Ci—Tl1C—As1iv	133.20 (11)
Tl1Ci—Tl1A—O2v	38.59 (2)	Tl1Cii—Tl1C—As1iv	84.00 (13)
Tl1Cii—Tl1A—O2v	153.03 (3)	O2iv—Tl1C—As1iv	24.19 (3)
O3—Tl1A—O2v	127.32 (4)	O2i—Tl1C—As1iv	117.7 (2)
O3iii—Tl1A—O2v	76.88 (4)	O3—Tl1C—As1iv	86.06 (8)
O3i—Tl1A—O2v	64.02 (4)	O3v—Tl1C—As1iv	85.56 (8)
O3iv—Tl1A—O2v	113.04 (4)	O3iv—Tl1C—As1iv	26.75 (4)
O3v—Tl1A—O2v	45.62 (4)	O3i—Tl1C—As1iv	154.2 (2)
O3ii—Tl1A—O2v	111.53 (4)	O2v—Tl1C—As1iv	132.74 (7)
Tl1Bi—Tl1A—O2iv	153.03 (2)	O2—Tl1C—As1iv	52.91 (3)
Tl1Bii—Tl1A—O2iv	83.71 (4)	O4vi—Tl1C—As1iv	72.63 (12)
Tl1C—Tl1A—O2iv	38.59 (3)	O4vii—Tl1C—As1iv	73.46 (12)
Tl1Ci—Tl1A—O2iv	153.03 (2)	Tl1A—Tl1C—As1i	109.57 (12)
Tl1Cii—Tl1A—O2iv	83.71 (3)	Tl1Bi—Tl1C—As1i	92.58 (18)
O3—Tl1A—O2iv	64.02 (4)	Tl1Bii—Tl1C—As1i	125.8 (2)
O3iii—Tl1A—O2iv	113.04 (4)	Tl1Ci—Tl1C—As1i	84.00 (12)
O3i—Tl1A—O2iv	111.53 (4)	Tl1Cii—Tl1C—As1i	133.20 (11)
O3iv—Tl1A—O2iv	45.62 (3)	O2iv—Tl1C—As1i	117.7 (2)
O3v—Tl1A—O2iv	76.88 (4)	O2i—Tl1C—As1i	24.19 (3)
O3ii—Tl1A—O2iv	127.32 (4)	O3—Tl1C—As1i	85.56 (8)
O2v—Tl1A—O2iv	114.671 (18)	O3v—Tl1C—As1i	86.06 (8)
Tl1Bi—Tl1A—O2ii	38.59 (2)	O3iv—Tl1C—As1i	154.2 (2)
Tl1Bii—Tl1A—O2ii	83.71 (3)	O3i—Tl1C—As1i	26.75 (4)
Tl1C—Tl1A—O2ii	153.03 (3)	O2v—Tl1C—As1i	52.91 (3)
Tl1Ci—Tl1A—O2ii	38.59 (2)	O2—Tl1C—As1i	132.74 (7)
Tl1Cii—Tl1A—O2ii	83.71 (3)	O4vi—Tl1C—As1i	73.46 (12)
O3—Tl1A—O2ii	113.05 (4)	O4vii—Tl1C—As1i	72.63 (12)
O3iii—Tl1A—O2ii	64.02 (4)	As1iv—Tl1C—As1i	140.9 (2)
O3i—Tl1A—O2ii	76.88 (4)	Tl1A—Tl1C—As1v	102.03 (12)
O3iv—Tl1A—O2ii	127.32 (4)	Tl1Bi—Tl1C—As1v	84.78 (18)
O3v—Tl1A—O2ii	111.53 (4)	Tl1Bii—Tl1C—As1v	118.9 (2)
O3ii—Tl1A—O2ii	45.62 (4)	Tl1Ci—Tl1C—As1v	76.18 (12)
O2v—Tl1A—O2ii	77.17 (4)	Tl1Cii—Tl1C—As1v	126.86 (11)
O2iv—Tl1A—O2ii	167.42 (5)	O2iv—Tl1C—As1v	107.38 (17)
Tl1Bi—Tl1A—O2iii	83.71 (2)	O2i—Tl1C—As1v	54.77 (6)
Tl1Bii—Tl1A—O2iii	38.59 (4)	O3—Tl1C—As1v	144.21 (19)
Tl1C—Tl1A—O2iii	153.03 (3)	O3v—Tl1C—As1v	25.57 (3)
Tl1Ci—Tl1A—O2iii	83.71 (2)	O3iv—Tl1C—As1v	97.93 (5)
Tl1Cii—Tl1A—O2iii	38.59 (3)	O3i—Tl1C—As1v	82.32 (4)
O3—Tl1A—O2iii	111.53 (4)	O2v—Tl1C—As1v	25.27 (3)
O3iii—Tl1A—O2iii	45.62 (3)	O2—Tl1C—As1v	162.06 (9)
O3i—Tl1A—O2iii	127.31 (4)	O4vi—Tl1C—As1v	52.35 (7)
O3iv—Tl1A—O2iii	76.88 (4)	O4vii—Tl1C—As1v	104.36 (18)
O3v—Tl1A—O2iii	113.04 (4)	As1iv—Tl1C—As1v	109.44 (10)
O3ii—Tl1A—O2iii	64.02 (4)	As1i—Tl1C—As1v	61.81 (4)
O2v—Tl1A—O2iii	114.671 (18)	Tl1A—Tl1C—As1	102.03 (12)
O2iv—Tl1A—O2iii	114.671 (18)	Tl1Bi—Tl1C—As1	118.9 (2)
O2ii—Tl1A—O2iii	53.93 (5)	Tl1Bii—Tl1C—As1	84.78 (19)
Tl1Bi—Tl1A—O2i	83.71 (2)	Tl1Ci—Tl1C—As1	126.86 (12)
Tl1Bii—Tl1A—O2i	153.03 (4)	Tl1Cii—Tl1C—As1	76.18 (13)
Tl1C—Tl1A—O2i	38.59 (3)	O2iv—Tl1C—As1	54.77 (6)
Tl1Ci—Tl1A—O2i	83.71 (2)	O2i—Tl1C—As1	107.38 (17)
Tl1Cii—Tl1A—O2i	153.03 (3)	O3—Tl1C—As1	25.56 (3)
O3—Tl1A—O2i	76.88 (4)	O3v—Tl1C—As1	144.21 (19)
O3iii—Tl1A—O2i	127.31 (4)	O3iv—Tl1C—As1	82.32 (4)
O3i—Tl1A—O2i	45.62 (3)	O3i—Tl1C—As1	97.93 (5)
O3iv—Tl1A—O2i	111.52 (4)	O2v—Tl1C—As1	162.06 (9)
O3v—Tl1A—O2i	64.02 (4)	O2—Tl1C—As1	25.27 (3)
O3ii—Tl1A—O2i	113.04 (4)	O4vi—Tl1C—As1	104.36 (18)
O2v—Tl1A—O2i	53.93 (5)	O4vii—Tl1C—As1	52.35 (7)
O2iv—Tl1A—O2i	77.17 (4)	As1iv—Tl1C—As1	61.81 (4)
O2ii—Tl1A—O2i	114.671 (18)	As1i—Tl1C—As1	109.44 (10)
O2iii—Tl1A—O2i	167.42 (5)	As1v—Tl1C—As1	155.9 (2)
Tl1Bi—Tl1A—O2	153.03 (2)	Tl1A—Tl1C—O3iii	41.80 (9)
Tl1Bii—Tl1A—O2	38.59 (3)	Tl1Bi—Tl1C—O3iii	42.53 (9)
Tl1C—Tl1A—O2	83.71 (3)	Tl1Bii—Tl1C—O3iii	48.38 (13)
Tl1Ci—Tl1A—O2	153.03 (2)	Tl1Ci—Tl1C—O3iii	45.67 (7)
Tl1Cii—Tl1A—O2	38.59 (3)	Tl1Cii—Tl1C—O3iii	53.67 (6)
O3—Tl1A—O2	45.61 (3)	O2iv—Tl1C—O3iii	112.74 (5)
O3iii—Tl1A—O2	111.53 (4)	O2i—Tl1C—O3iii	127.49 (5)
O3i—Tl1A—O2	113.04 (4)	O3—Tl1C—O3iii	139.3 (2)
O3iv—Tl1A—O2	64.02 (4)	O3v—Tl1C—O3iii	64.35 (8)
O3v—Tl1A—O2	127.32 (4)	O3iv—Tl1C—O3iii	63.07 (9)
O3ii—Tl1A—O2	76.88 (4)	O3i—Tl1C—O3iii	115.92 (18)
O2v—Tl1A—O2	167.42 (5)	O2v—Tl1C—O3iii	70.05 (10)
O2iv—Tl1A—O2	53.93 (5)	O2—Tl1C—O3iii	99.95 (14)
O2ii—Tl1A—O2	114.671 (18)	O4vi—Tl1C—O3iii	110.35 (4)
O2iii—Tl1A—O2	77.17 (5)	O4vii—Tl1C—O3iii	161.91 (11)
O2i—Tl1A—O2	114.671 (18)	As1iv—Tl1C—O3iii	89.69 (6)
Tl1Bi—Tl1A—As1v	60.345 (3)	As1i—Tl1C—O3iii	120.32 (10)
Tl1Bii—Tl1A—As1v	151.344 (7)	As1v—Tl1C—O3iii	74.64 (6)
Tl1C—Tl1A—As1v	67.496 (15)	As1—Tl1C—O3iii	125.14 (13)
Tl1Ci—Tl1A—As1v	60.345 (3)	O4viii—Ga1—O4ix	89.32 (6)
Tl1Cii—Tl1A—As1v	151.344 (7)	O4viii—Ga1—O4i	89.32 (6)
O3—Tl1A—As1v	125.98 (3)	O4ix—Ga1—O4i	89.32 (6)
O3iii—Tl1A—As1v	77.63 (3)	O4viii—Ga1—O2x	177.75 (6)
O3i—Tl1A—As1v	78.07 (3)	O4ix—Ga1—O2x	91.19 (6)
O3iv—Tl1A—As1v	92.52 (3)	O4i—Ga1—O2x	88.50 (6)
O3v—Tl1A—As1v	24.05 (3)	O4viii—Ga1—O2ii	88.50 (6)
O3ii—Tl1A—As1v	134.64 (3)	O4ix—Ga1—O2ii	177.75 (6)
O2v—Tl1A—As1v	23.26 (2)	O4i—Ga1—O2ii	91.19 (6)
O2iv—Tl1A—As1v	92.70 (2)	O2x—Ga1—O2ii	91.01 (6)
O2ii—Tl1A—As1v	98.35 (2)	O4viii—Ga1—O2xi	91.19 (6)
O2iii—Tl1A—As1v	122.48 (2)	O4ix—Ga1—O2xi	88.50 (6)
O2i—Tl1A—As1v	49.80 (3)	O4i—Ga1—O2xi	177.75 (6)
O2—Tl1A—As1v	146.60 (2)	O2x—Ga1—O2xi	91.01 (6)
Tl1Bi—Tl1A—As1iii	67.496 (3)	O2ii—Ga1—O2xi	91.01 (6)
Tl1Bii—Tl1A—As1iii	60.35 (2)	O4viii—Ga1—Tl1Cix	142.93 (5)
Tl1C—Tl1A—As1iii	151.344 (7)	O4ix—Ga1—Tl1Cix	85.12 (7)
Tl1Ci—Tl1A—As1iii	67.496 (3)	O4i—Ga1—Tl1Cix	54.06 (6)
Tl1Cii—Tl1A—As1iii	60.345 (15)	O2x—Ga1—Tl1Cix	35.00 (5)
O3—Tl1A—As1iii	134.64 (3)	O2ii—Ga1—Tl1Cix	96.95 (7)
O3iii—Tl1A—As1iii	24.05 (3)	O2xi—Ga1—Tl1Cix	125.17 (6)
O3i—Tl1A—As1iii	125.98 (3)	O4viii—Ga1—Tl1Cviii	85.12 (8)
O3iv—Tl1A—As1iii	77.63 (3)	O4ix—Ga1—Tl1Cviii	54.06 (6)
O3v—Tl1A—As1iii	92.52 (3)	O4i—Ga1—Tl1Cviii	142.93 (6)
O3ii—Tl1A—As1iii	78.07 (3)	O2x—Ga1—Tl1Cviii	96.95 (8)
O2v—Tl1A—As1iii	92.70 (2)	O2ii—Ga1—Tl1Cviii	125.17 (6)
O2iv—Tl1A—As1iii	122.48 (2)	O2xi—Ga1—Tl1Cviii	35.00 (5)
O2ii—Tl1A—As1iii	49.80 (2)	Tl1Cix—Ga1—Tl1Cviii	119.488 (4)
O2iii—Tl1A—As1iii	23.26 (2)	O4viii—Ga1—Tl1Ci	54.06 (6)
O2i—Tl1A—As1iii	146.60 (2)	O4ix—Ga1—Tl1Ci	142.93 (5)
O2—Tl1A—As1iii	98.35 (2)	O4i—Ga1—Tl1Ci	85.13 (7)
As1v—Tl1A—As1iii	99.284 (8)	O2x—Ga1—Tl1Ci	125.17 (6)
Tl1Bi—Tl1A—As1iv	151.344 (7)	O2ii—Ga1—Tl1Ci	35.00 (5)
Tl1Bii—Tl1A—As1iv	67.50 (2)	O2xi—Ga1—Tl1Ci	96.95 (7)
Tl1C—Tl1A—As1iv	60.345 (15)	Tl1Cix—Ga1—Tl1Ci	119.488 (6)
Tl1Ci—Tl1A—As1iv	151.344 (7)	Tl1Cviii—Ga1—Tl1Ci	119.488 (1)
Tl1Cii—Tl1A—As1iv	67.496 (15)	O4viii—Ga1—Tl1Bix	143.88 (5)
O3—Tl1A—As1iv	78.07 (3)	O4ix—Ga1—Tl1Bix	82.88 (5)
O3iii—Tl1A—As1iv	92.52 (3)	O4i—Ga1—Tl1Bix	55.53 (5)
O3i—Tl1A—As1iv	134.64 (3)	O2x—Ga1—Tl1Bix	34.12 (4)
O3iv—Tl1A—As1iv	24.05 (3)	O2ii—Ga1—Tl1Bix	99.21 (6)
O3v—Tl1A—As1iv	77.63 (3)	O2xi—Ga1—Tl1Bix	123.61 (5)
O3ii—Tl1A—As1iv	125.98 (3)	Tl1Cix—Ga1—Tl1Bix	2.61 (6)
O2v—Tl1A—As1iv	122.48 (2)	Tl1Cviii—Ga1—Tl1Bix	116.94 (6)
O2iv—Tl1A—As1iv	23.26 (2)	Tl1Ci—Ga1—Tl1Bix	122.10 (5)
O2ii—Tl1A—As1iv	146.60 (2)	O4viii—Ga1—Tl1Bi	55.53 (5)
O2iii—Tl1A—As1iv	92.70 (2)	O4ix—Ga1—Tl1Bi	143.88 (5)
O2i—Tl1A—As1iv	98.35 (2)	O4i—Ga1—Tl1Bi	82.88 (5)
O2—Tl1A—As1iv	49.80 (2)	O2x—Ga1—Tl1Bi	123.61 (5)
As1v—Tl1A—As1iv	99.284 (8)	O2ii—Ga1—Tl1Bi	34.12 (4)
As1iii—Tl1A—As1iv	99.284 (8)	O2xi—Ga1—Tl1Bi	99.21 (5)
Tl1Bi—Tl1B—Tl1Bii	60.001 (6)	Tl1Cix—Ga1—Tl1Bi	116.94 (6)
Tl1Bi—Tl1B—Tl1Ci	10.01 (19)	Tl1Cviii—Ga1—Tl1Bi	122.10 (6)
Tl1Bii—Tl1B—Tl1Ci	70.01 (18)	Tl1Ci—Ga1—Tl1Bi	2.61 (6)
Tl1Bi—Tl1B—Tl1Cii	70.01 (19)	Tl1Bix—Ga1—Tl1Bi	119.553 (4)
Tl1Bii—Tl1B—Tl1Cii	10.0 (2)	O4viii—Ga1—Tl1Bviii	82.88 (6)
Tl1Ci—Tl1B—Tl1Cii	80.0 (4)	O4ix—Ga1—Tl1Bviii	55.53 (5)
Tl1Bi—Tl1B—O2iv	161.49 (7)	O4i—Ga1—Tl1Bviii	143.88 (5)
Tl1Bii—Tl1B—O2iv	108.27 (9)	O2x—Ga1—Tl1Bviii	99.21 (6)
Tl1Ci—Tl1B—O2iv	165.03 (5)	O2ii—Ga1—Tl1Bviii	123.61 (5)
Tl1Cii—Tl1B—O2iv	98.63 (15)	O2xi—Ga1—Tl1Bviii	34.12 (5)
Tl1Bi—Tl1B—O2i	108.27 (8)	Tl1Cix—Ga1—Tl1Bviii	122.10 (6)
Tl1Bii—Tl1B—O2i	161.49 (6)	Tl1Cviii—Ga1—Tl1Bviii	2.61 (6)
Tl1Ci—Tl1B—O2i	98.63 (14)	Tl1Ci—Ga1—Tl1Bviii	116.94 (6)
Tl1Cii—Tl1B—O2i	165.03 (5)	Tl1Bix—Ga1—Tl1Bviii	119.553 (2)
O2iv—Tl1B—O2i	86.48 (16)	Tl1Bi—Ga1—Tl1Bviii	119.553 (1)
Tl1Bi—Tl1B—O3	122.35 (9)	O1xii—As2—O1xiii	92.56 (6)
Tl1Bii—Tl1B—O3	91.20 (11)	O1xii—As2—O1ix	87.44 (6)
Tl1Ci—Tl1B—O3	125.20 (11)	O1xiii—As2—O1ix	87.44 (6)
Tl1Cii—Tl1B—O3	85.15 (9)	O1xii—As2—O1xiv	92.56 (6)
O2iv—Tl1B—O3	69.19 (9)	O1xiii—As2—O1xiv	92.56 (6)
O2i—Tl1B—O3	83.53 (11)	O1ix—As2—O1xiv	179.99 (7)
Tl1Bi—Tl1B—O3v	91.20 (10)	O1xii—As2—O1i	87.44 (6)
Tl1Bii—Tl1B—O3v	122.35 (9)	O1xiii—As2—O1i	180.0
Tl1Ci—Tl1B—O3v	85.15 (9)	O1ix—As2—O1i	92.56 (6)
Tl1Cii—Tl1B—O3v	125.20 (11)	O1xiv—As2—O1i	87.44 (6)
O2iv—Tl1B—O3v	83.53 (11)	O1xii—As2—O1viii	180.0
O2i—Tl1B—O3v	69.19 (9)	O1xiii—As2—O1viii	87.44 (6)
O3—Tl1B—O3v	142.5 (2)	O1ix—As2—O1viii	92.56 (6)
Tl1Bi—Tl1B—O3i	76.72 (10)	O1xiv—As2—O1viii	87.44 (6)
Tl1Bii—Tl1B—O3i	113.31 (9)	O1i—As2—O1viii	92.56 (6)
Tl1Ci—Tl1B—O3i	70.81 (8)	O2—As1—O4v	117.11 (7)
Tl1Cii—Tl1B—O3i	118.40 (16)	O2—As1—O1xv	115.20 (7)
O2iv—Tl1B—O3i	121.79 (16)	O4v—As1—O1xv	100.55 (7)
O2i—Tl1B—O3i	48.21 (5)	O2—As1—O3	104.32 (8)
O3—Tl1B—O3i	71.03 (6)	O4v—As1—O3	111.00 (7)
O3v—Tl1B—O3i	105.28 (8)	O1xv—As1—O3	108.62 (8)
Tl1Bi—Tl1B—O3iv	113.32 (10)	O2—As1—Tl1Cii	45.23 (13)
Tl1Bii—Tl1B—O3iv	76.72 (11)	O4v—As1—Tl1Cii	117.24 (9)
Tl1Ci—Tl1B—O3iv	118.40 (16)	O1xv—As1—Tl1Cii	142.08 (9)
Tl1Cii—Tl1B—O3iv	70.81 (9)	O3—As1—Tl1Cii	62.00 (11)
O2iv—Tl1B—O3iv	48.21 (5)	O2—As1—Tl1C	62.05 (11)
O2i—Tl1B—O3iv	121.79 (16)	O4v—As1—Tl1C	101.81 (13)
O3—Tl1B—O3iv	105.28 (8)	O1xv—As1—Tl1C	155.50 (11)
O3v—Tl1B—O3iv	71.03 (6)	O3—As1—Tl1C	53.44 (7)
O3i—Tl1B—O3iv	169.0 (2)	Tl1Cii—As1—Tl1C	19.8 (2)
Tl1Bi—Tl1B—O2v	60.43 (10)	O2—As1—Tl1Bii	49.87 (9)
Tl1Bii—Tl1B—O2v	118.57 (9)	O4v—As1—Tl1Bii	114.51 (7)
Tl1Ci—Tl1B—O2v	50.84 (13)	O1xv—As1—Tl1Bii	144.91 (7)
Tl1Cii—Tl1B—O2v	128.2 (3)	O3—As1—Tl1Bii	58.46 (9)
O2iv—Tl1B—O2v	124.22 (15)	Tl1Cii—As1—Tl1Bii	4.93 (10)
O2i—Tl1B—O2v	56.67 (6)	Tl1C—As1—Tl1Bii	15.14 (18)
O3—Tl1B—O2v	133.64 (8)	O2—As1—Tl1B	58.46 (8)
O3v—Tl1B—O2v	46.81 (4)	O4v—As1—Tl1B	106.50 (9)
O3i—Tl1B—O2v	64.90 (4)	O1xv—As1—Tl1B	151.78 (9)
O3iv—Tl1B—O2v	115.21 (4)	O3—As1—Tl1B	53.97 (7)
Tl1Bi—Tl1B—O2	118.57 (11)	Tl1Cii—As1—Tl1B	15.00 (18)
Tl1Bii—Tl1B—O2	60.43 (12)	Tl1C—As1—Tl1B	5.05 (10)
Tl1Ci—Tl1B—O2	128.2 (3)	Tl1Bii—As1—Tl1B	10.20 (16)
Tl1Cii—Tl1B—O2	50.84 (14)	O2—As1—Tl1A	54.77 (5)
O2iv—Tl1B—O2	56.67 (6)	O4v—As1—Tl1A	111.51 (5)
O2i—Tl1B—O2	124.22 (15)	O1xv—As1—Tl1A	147.41 (5)
O3—Tl1B—O2	46.81 (4)	O3—As1—Tl1A	54.89 (6)
O3v—Tl1B—O2	133.64 (9)	Tl1Cii—As1—Tl1A	10.09 (12)
O3i—Tl1B—O2	115.21 (4)	Tl1C—As1—Tl1A	10.48 (13)
O3iv—Tl1B—O2	64.90 (4)	Tl1Bii—As1—Tl1A	5.16 (8)
O2v—Tl1B—O2	179.0 (2)	Tl1B—As1—Tl1A	5.42 (9)
Tl1Bi—Tl1B—O3iii	48.40 (6)	O2—As1—Tl1Bi	55.93 (5)
Tl1Bii—Tl1B—O3iii	56.62 (5)	O4v—As1—Tl1Bi	113.25 (6)
Tl1Ci—Tl1B—O3iii	52.40 (12)	O1xv—As1—Tl1Bi	145.33 (6)
Tl1Cii—Tl1B—O3iii	62.37 (15)	O3—As1—Tl1Bi	52.81 (7)
O2iv—Tl1B—O3iii	113.67 (4)	Tl1Cii—As1—Tl1Bi	10.77 (13)
O2i—Tl1B—O3iii	128.31 (4)	Tl1C—As1—Tl1Bi	11.63 (13)
O3—Tl1B—O3iii	147.52 (14)	Tl1Bii—As1—Tl1Bi	6.08 (9)
O3v—Tl1B—O3iii	66.83 (6)	Tl1B—As1—Tl1Bi	6.76 (10)
O3i—Tl1B—O3iii	122.76 (13)	Tl1A—As1—Tl1Bi	2.50 (3)
O3iv—Tl1B—O3iii	66.00 (6)	O2—As1—Tl1Cxvi	92.14 (6)
O2v—Tl1B—O3iii	73.56 (7)	O4v—As1—Tl1Cxvi	41.91 (5)
O2—Tl1B—O3iii	105.70 (10)	O1xv—As1—Tl1Cxvi	82.53 (7)
Tl1Bi—Tl1B—O3ii	56.62 (6)	O3—As1—Tl1Cxvi	152.91 (6)
Tl1Bii—Tl1B—O3ii	48.40 (5)	Tl1Cii—As1—Tl1Cxvi	123.42 (8)
Tl1Ci—Tl1B—O3ii	62.37 (15)	Tl1C—As1—Tl1Cxvi	121.18 (11)
Tl1Cii—Tl1B—O3ii	52.40 (12)	Tl1Bii—As1—Tl1Cxvi	124.63 (6)
O2iv—Tl1B—O3ii	128.31 (4)	Tl1B—As1—Tl1Cxvi	123.45 (8)
O2i—Tl1B—O3ii	113.67 (4)	Tl1A—As1—Tl1Cxvi	125.61 (5)
O3—Tl1B—O3ii	66.84 (6)	Tl1Bi—As1—Tl1Cxvi	128.10 (4)
O3v—Tl1B—O3ii	147.52 (14)	O2—As1—Tl1Ci	56.83 (5)
O3i—Tl1B—O3ii	66.00 (6)	O4v—As1—Tl1Ci	114.55 (6)
O3iv—Tl1B—O3ii	122.76 (13)	O1xv—As1—Tl1Ci	143.72 (6)
O2v—Tl1B—O3ii	105.70 (10)	O3—As1—Tl1Ci	51.27 (7)
O2—Tl1B—O3ii	73.56 (7)	Tl1Cii—As1—Tl1Ci	11.61 (14)
O3iii—Tl1B—O3ii	90.99 (15)	Tl1C—As1—Tl1Ci	12.76 (15)
Tl1Bi—Tl1B—O2ii	15.14 (2)	Tl1Bii—As1—Tl1Ci	7.28 (9)
Tl1Bii—Tl1B—O2ii	52.07 (3)	Tl1B—As1—Tl1Ci	8.14 (10)
Tl1Ci—Tl1B—O2ii	22.47 (14)	Tl1A—As1—Tl1Ci	4.38 (4)
Tl1Cii—Tl1B—O2ii	61.7 (2)	Tl1Bi—As1—Tl1Ci	1.88 (4)
O2iv—Tl1B—O2ii	160.34 (12)	Tl1Cxvi—As1—Tl1Ci	129.990 (14)
O2i—Tl1B—O2ii	112.79 (4)	As1xvii—O1—As2xviii	131.79 (8)
O3—Tl1B—O2ii	107.73 (10)	As1xvii—O1—Tl1Cvi	76.09 (10)
O3v—Tl1B—O2ii	106.34 (9)	As2xviii—O1—Tl1Cvi	131.19 (7)
O3i—Tl1B—O2ii	72.78 (8)	As1xvii—O1—Tl1Bvi	79.08 (7)
O3iv—Tl1B—O2ii	118.09 (14)	As2xviii—O1—Tl1Bvi	129.47 (6)
O2v—Tl1B—O2ii	72.62 (8)	Tl1Cvi—O1—Tl1Bvi	3.04 (7)
O2—Tl1B—O2ii	106.41 (13)	As1—O2—Ga1xix	123.98 (8)
O3iii—Tl1B—O2ii	57.99 (9)	As1—O2—Tl1Cii	110.58 (14)
O3ii—Tl1B—O2ii	41.51 (7)	Ga1xix—O2—Tl1Cii	121.99 (11)
Tl1Bi—Tl1B—O2iii	52.07 (4)	As1—O2—Tl1Bii	106.18 (10)
Tl1Bii—Tl1B—O2iii	15.14 (3)	Ga1xix—O2—Tl1Bii	125.29 (8)
Tl1Ci—Tl1B—O2iii	61.7 (2)	Tl1Cii—O2—Tl1Bii	4.89 (11)
Tl1Cii—Tl1B—O2iii	22.47 (15)	As1—O2—Tl1B	97.04 (10)
O2iv—Tl1B—O2iii	112.79 (4)	Ga1xix—O2—Tl1B	130.25 (7)
O2i—Tl1B—O2iii	160.34 (12)	Tl1Cii—O2—Tl1B	16.1 (2)
O3—Tl1B—O2iii	106.34 (9)	Tl1Bii—O2—Tl1B	11.30 (18)
O3v—Tl1B—O2iii	107.73 (10)	As1—O2—Tl1A	101.96 (6)
O3i—Tl1B—O2iii	118.09 (14)	Ga1xix—O2—Tl1A	128.28 (6)
O3iv—Tl1B—O2iii	72.78 (8)	Tl1Cii—O2—Tl1A	9.54 (13)
O2v—Tl1B—O2iii	106.41 (13)	Tl1Bii—O2—Tl1A	4.65 (8)
O2—Tl1B—O2iii	72.62 (8)	Tl1B—O2—Tl1A	6.80 (10)
O3iii—Tl1B—O2iii	41.51 (7)	As1—O2—Tl1C	92.68 (12)
O3ii—Tl1B—O2iii	57.99 (9)	Ga1xix—O2—Tl1C	131.46 (7)
O2ii—Tl1B—O2iii	48.37 (9)	Tl1Cii—O2—Tl1C	22.0 (3)
Tl1Bi—Tl1B—O4vi	130.74 (4)	Tl1Bii—O2—Tl1C	17.2 (2)
Tl1Bii—Tl1B—O4vi	153.31 (3)	Tl1B—O2—Tl1C	5.98 (12)
Tl1Ci—Tl1B—O4vi	121.93 (15)	Tl1A—O2—Tl1C	12.78 (14)
Tl1Cii—Tl1B—O4vi	146.99 (14)	As1—O2—Tl1Bi	102.86 (6)
O2iv—Tl1B—O4vi	53.44 (9)	Ga1xix—O2—Tl1Bi	128.59 (6)
O2i—Tl1B—O4vi	45.18 (8)	Tl1Cii—O2—Tl1Bi	7.87 (11)
O3—Tl1B—O4vi	98.07 (15)	Tl1Bii—O2—Tl1Bi	3.37 (6)
O3v—Tl1B—O4vi	44.48 (7)	Tl1B—O2—Tl1Bi	9.37 (14)
O3i—Tl1B—O4vi	93.37 (11)	Tl1A—O2—Tl1Bi	2.78 (4)
O3iv—Tl1B—O4vi	76.71 (9)	Tl1C—O2—Tl1Bi	15.31 (17)
O2v—Tl1B—O4vi	71.57 (8)	As1—O2—Tl1Ci	103.50 (6)
O2—Tl1B—O4vi	109.39 (13)	Ga1xix—O2—Tl1Ci	128.74 (6)
O3iii—Tl1B—O4vi	109.27 (4)	Tl1Cii—O2—Tl1Ci	7.09 (10)
O3ii—Tl1B—O4vi	157.13 (10)	Tl1Bii—O2—Tl1Ci	3.69 (4)
O2ii—Tl1B—O4vi	144.16 (3)	Tl1B—O2—Tl1Ci	11.31 (13)
O2iii—Tl1B—O4vi	144.88 (3)	Tl1A—O2—Tl1Ci	4.82 (5)
Tl1Bi—Tl1B—O4vii	153.31 (3)	Tl1C—O2—Tl1Ci	17.21 (19)
Tl1Bii—Tl1B—O4vii	130.74 (5)	Tl1Bi—O2—Tl1Ci	2.03 (4)
Tl1Ci—Tl1B—O4vii	146.99 (13)	As1—O2—Tl1Cxvi	68.04 (4)
Tl1Cii—Tl1B—O4vii	121.93 (15)	Ga1xix—O2—Tl1Cxvi	59.62 (4)
O2iv—Tl1B—O4vii	45.18 (8)	Tl1Cii—O2—Tl1Cxvi	140.65 (6)
O2i—Tl1B—O4vii	53.44 (9)	Tl1Bii—O2—Tl1Cxvi	137.61 (6)
O3—Tl1B—O4vii	44.48 (7)	Tl1B—O2—Tl1Cxvi	128.34 (12)
O3v—Tl1B—O4vii	98.07 (15)	Tl1A—O2—Tl1Cxvi	134.48 (5)
O3i—Tl1B—O4vii	76.70 (9)	Tl1C—O2—Tl1Cxvi	122.85 (17)
O3iv—Tl1B—O4vii	93.37 (11)	Tl1Bi—O2—Tl1Cxvi	137.26 (5)
O2v—Tl1B—O4vii	109.39 (13)	Tl1Ci—O2—Tl1Cxvi	139.30 (4)
O2—Tl1B—O4vii	71.57 (8)	As1—O3—Tl1C	100.99 (8)
O3iii—Tl1B—O4vii	157.14 (10)	As1—O3—Tl1B	101.09 (7)
O3ii—Tl1B—O4vii	109.27 (4)	Tl1C—O3—Tl1B	6.12 (13)
O2ii—Tl1B—O4vii	144.87 (3)	As1—O3—Tl1Cii	91.25 (13)
O2iii—Tl1B—O4vii	144.16 (3)	Tl1C—O3—Tl1Cii	23.2 (3)
O4vi—Tl1B—O4vii	53.60 (10)	Tl1B—O3—Tl1Cii	17.8 (2)
Tl1Bi—Tl1B—As1iv	137.73 (8)	As1—O3—Tl1Bii	95.92 (11)
Tl1Bii—Tl1B—As1iv	88.74 (9)	Tl1C—O3—Tl1Bii	17.8 (2)
Tl1Ci—Tl1B—As1iv	143.84 (15)	Tl1B—O3—Tl1Bii	12.08 (19)
Tl1Cii—Tl1B—As1iv	80.08 (13)	Tl1Cii—O3—Tl1Bii	6.11 (13)
O2iv—Tl1B—As1iv	23.96 (3)	As1—O3—Tl1A	101.07 (7)
O2i—Tl1B—As1iv	108.05 (16)	Tl1C—O3—Tl1A	12.57 (15)
O3—Tl1B—As1iv	82.58 (7)	Tl1B—O3—Tl1A	6.45 (10)
O3v—Tl1B—As1iv	82.12 (7)	Tl1Cii—O3—Tl1A	12.89 (15)
O3i—Tl1B—As1iv	145.30 (16)	Tl1Bii—O3—Tl1A	6.78 (11)
O3iv—Tl1B—As1iv	25.63 (4)	As1—O3—Tl1Bi	105.62 (10)
O2v—Tl1B—As1iv	128.80 (9)	Tl1C—O3—Tl1Bi	14.88 (17)
O2—Tl1B—As1iv	51.74 (4)	Tl1B—O3—Tl1Bi	9.25 (14)
O3iii—Tl1B—As1iv	91.55 (4)	Tl1Cii—O3—Tl1Bi	15.81 (18)
O3ii—Tl1B—As1iv	123.66 (5)	Tl1Bii—O3—Tl1Bi	10.07 (15)
O2ii—Tl1B—As1iv	138.66 (12)	Tl1A—O3—Tl1Bi	4.85 (7)
O2iii—Tl1B—As1iv	90.32 (5)	As1—O3—Tl1Ci	109.08 (11)
O4vi—Tl1B—As1iv	67.91 (8)	Tl1C—O3—Tl1Ci	17.3 (2)
O4vii—Tl1B—As1iv	68.66 (8)	Tl1B—O3—Tl1Ci	12.27 (13)
Tl1Bi—Tl1B—As1i	88.74 (8)	Tl1Cii—O3—Tl1Ci	18.6 (2)
Tl1Bii—Tl1B—As1i	137.73 (6)	Tl1Bii—O3—Tl1Ci	13.23 (14)
Tl1Ci—Tl1B—As1i	80.08 (12)	Tl1A—O3—Tl1Ci	8.55 (8)
Tl1Cii—Tl1B—As1i	143.84 (15)	Tl1Bi—O3—Tl1Ci	3.70 (7)
O2iv—Tl1B—As1i	108.05 (16)	As1v—O4—Ga1xviii	126.29 (8)
O2i—Tl1B—As1i	23.96 (3)	As1v—O4—Tl1Cxx	119.50 (8)
O3—Tl1B—As1i	82.12 (7)	Ga1xviii—O4—Tl1Cxx	98.90 (5)
O3v—Tl1B—As1i	82.59 (7)	As1v—O4—Tl1Bxx	120.75 (7)
O3i—Tl1B—As1i	25.63 (3)	Ga1xviii—O4—Tl1Bxx	99.36 (5)
O3iv—Tl1B—As1i	145.30 (16)	Tl1Cxx—O4—Tl1Bxx	2.65 (6)
O2v—Tl1B—As1i	51.74 (4)	As1v—O4—Tl1Axvii	121.89 (6)
O2—Tl1B—As1i	128.80 (9)	Ga1xviii—O4—Tl1Axvii	99.79 (5)
O3iii—Tl1B—As1i	123.66 (5)	Tl1Cxx—O4—Tl1Axvii	5.17 (7)
O3ii—Tl1B—As1i	91.55 (4)	Tl1Bxx—O4—Tl1Axvii	2.52 (4)
O2ii—Tl1B—As1i	90.32 (5)	As1v—O4—Tl1Bxvii	126.95 (10)
O2iii—Tl1B—As1i	138.66 (12)	Ga1xviii—O4—Tl1Bxvii	96.40 (7)
O4vi—Tl1B—As1i	68.66 (8)	Tl1Cxx—O4—Tl1Bxvii	9.46 (12)
O4vii—Tl1B—As1i	67.90 (8)	Tl1Bxx—O4—Tl1Bxvii	7.14 (11)
As1iv—Tl1B—As1i	131.02 (16)	Tl1Axvii—O4—Tl1Bxvii	5.24 (8)
Tl1A—Tl1C—Tl1Bi	19.99 (19)	As1v—O4—Tl1Cxvii	131.11 (13)
Tl1A—Tl1C—Tl1Bii	19.99 (19)	Ga1xviii—O4—Tl1Cxvii	93.57 (8)
Tl1Bi—Tl1C—Tl1Bii	40.0 (4)	Tl1Cxx—O4—Tl1Cxvii	13.52 (16)
Tl1A—Tl1C—Tl1Ci	30.0	Tl1Bxx—O4—Tl1Cxvii	11.37 (12)
Tl1Bi—Tl1C—Tl1Ci	10.01 (19)	Tl1Axvii—O4—Tl1Cxvii	9.57 (10)
Tl1Bii—Tl1C—Tl1Ci	50.00 (19)	Tl1Bxvii—O4—Tl1Cxvii	4.33 (9)
Tl1A—Tl1C—Tl1Cii	30.001 (5)	As1v—O4—Tl1Bxxi	117.93 (8)
Tl1Bi—Tl1C—Tl1Cii	50.00 (19)	Ga1xviii—O4—Tl1Bxxi	103.39 (7)
Tl1Bii—Tl1C—Tl1Cii	10.01 (19)	Tl1Cxx—O4—Tl1Bxxi	5.57 (7)
Tl1Ci—Tl1C—Tl1Cii	60.001 (5)	Tl1Bxx—O4—Tl1Bxxi	4.08 (6)
Tl1A—Tl1C—O2iv	131.87 (13)	Tl1Axvii—O4—Tl1Bxxi	4.01 (6)
Tl1Bi—Tl1C—O2iv	149.7 (2)	Tl1Bxvii—O4—Tl1Bxxi	9.04 (13)
Tl1Bii—Tl1C—O2iv	113.0 (2)	Tl1Cxvii—O4—Tl1Bxxi	13.33 (14)
Tl1Ci—Tl1C—O2iv	157.37 (11)	As1v—O4—Tl1C	57.11 (10)
Tl1Cii—Tl1C—O2iv	103.48 (14)	Ga1xviii—O4—Tl1C	69.38 (10)
Tl1A—Tl1C—O2i	131.87 (13)	Tl1Cxx—O4—Tl1C	132.52 (6)
Tl1Bi—Tl1C—O2i	113.0 (2)	Tl1Bxx—O4—Tl1C	135.13 (5)
Tl1Bii—Tl1C—O2i	149.7 (2)	Tl1Axvii—O4—Tl1C	137.61 (4)
Tl1Ci—Tl1C—O2i	103.48 (13)	Tl1Bxvii—O4—Tl1C	140.03 (5)
Tl1Cii—Tl1C—O2i	157.37 (11)	Tl1Cxvii—O4—Tl1C	141.67 (5)
O2iv—Tl1C—O2i	96.3 (3)	Tl1Bxxi—O4—Tl1C	137.05 (4)
Tl1A—Tl1C—O3	102.61 (15)	As1v—O4—Tl1Cxxi	114.85 (9)
Tl1Bi—Tl1C—O3	112.72 (18)	Ga1xviii—O4—Tl1Cxxi	106.19 (8)
Tl1Bii—Tl1C—O3	91.37 (17)	Tl1Cxx—O4—Tl1Cxxi	7.53 (9)
Tl1Ci—Tl1C—O3	116.99 (14)	Tl1Bxx—O4—Tl1Cxxi	6.86 (7)
Tl1Cii—Tl1C—O3	85.65 (15)	Tl1Axvii—O4—Tl1Cxxi	7.13 (7)
O2iv—Tl1C—O3	73.65 (11)	Tl1Bxvii—O4—Tl1Cxxi	12.10 (13)
O2i—Tl1C—O3	89.44 (14)	Tl1Cxvii—O4—Tl1Cxxi	16.34 (17)
Tl1A—Tl1C—O3v	102.61 (15)	Tl1Bxxi—O4—Tl1Cxxi	3.13 (6)
Tl1Bi—Tl1C—O3v	91.37 (16)	Tl1C—O4—Tl1Cxxi	136.41 (4)
Tl1Bii—Tl1C—O3v	112.72 (18)	As1v—O4—Tl1B	53.77 (7)
Tl1Ci—Tl1C—O3v	85.65 (14)	Ga1xviii—O4—Tl1B	72.86 (7)
Tl1Cii—Tl1C—O3v	116.99 (13)	Tl1Cxx—O4—Tl1B	131.57 (7)
O2iv—Tl1C—O3v	89.44 (14)	Tl1Bxx—O4—Tl1B	134.21 (4)
O2i—Tl1C—O3v	73.65 (11)	Tl1Axvii—O4—Tl1B	136.72 (4)
O3—Tl1C—O3v	154.8 (3)	Tl1Bxvii—O4—Tl1B	139.57 (6)
Tl1A—Tl1C—O3iv	89.40 (15)	Tl1Cxvii—O4—Tl1B	141.61 (6)
Tl1Bi—Tl1C—O3iv	101.8 (2)	Tl1Bxxi—O4—Tl1B	135.80 (4)
Tl1Bii—Tl1C—O3iv	77.01 (17)	Tl1C—O4—Tl1B	3.71 (8)
Tl1Ci—Tl1C—O3iv	107.76 (14)	Tl1Cxxi—O4—Tl1B	134.90 (4)
Tl1Cii—Tl1C—O3iv	71.13 (14)	As1v—O4—Tl1Ci	44.77 (8)
O2iv—Tl1C—O3iv	49.88 (5)	Ga1xviii—O4—Tl1Ci	83.27 (9)
O2i—Tl1C—O3iv	131.2 (2)	Tl1Cxx—O4—Tl1Ci	124.50 (15)
O3—Tl1C—O3iv	107.87 (7)	Tl1Bxx—O4—Tl1Ci	127.13 (11)
O3v—Tl1C—O3iv	72.40 (6)	Tl1Axvii—O4—Tl1Ci	129.62 (9)
Tl1A—Tl1C—O3i	89.39 (15)	Tl1Bxvii—O4—Tl1Ci	133.50 (7)
Tl1Bi—Tl1C—O3i	77.01 (16)	Tl1Cxvii—O4—Tl1Ci	136.55 (3)
Tl1Bii—Tl1C—O3i	101.8 (2)	Tl1Bxxi—O4—Tl1Ci	127.83 (11)
Tl1Ci—Tl1C—O3i	71.13 (14)	Tl1C—O4—Tl1Ci	16.03 (19)
Tl1Cii—Tl1C—O3i	107.76 (13)	Tl1Cxxi—O4—Tl1Ci	126.30 (13)
O2iv—Tl1C—O3i	131.2 (2)	Tl1B—O4—Tl1Ci	12.41 (14)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H···O4vii	0.87 (2)	1.94 (3)	2.728 (2)	150 (4)