Two new Rb-Ga arsenates: RbGa(HAsO4)2 and RbGa2As(HAsO4)6.

The crystal structures of hydro-thermally synthesized (T = 493 K, 7-9 d) rubidium gallium bis-[hydrogenarsenate(V)], RbGa(HAsO4)2, and rubidium digallium arsenic(V) hexa-[hydrogenarsenate(V)], RbGa2As(HAsO4)6, were solved by single-crystal X-ray diffraction. Both compounds have tetra-hedral-octa-hedral framework topologies. The M+ cations are located in channels of the respective framework. RbGa(HAsO4)2 crystallizes in the RbFe(HPO4)2 structure type (Rc), while RbGa2As(HAsO4)6 adopts the structure type of RbAl2As(HAsO4)6 (Rc), which represents a modification of the RbFe(HPO4)2 structure type. In this modification, one third of the M3+O6 octa-hedra are replaced by AsO6 octa-hedra, and two thirds of the voids in the structure, which are usually filled by M+ cations, remain empty to achieve charge balance.

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 nonlinear optical features (frequency doubling) (Sun et al., 2017 ▸). In order to further increase the insufficient knowledge about the crystal chemistry and structure types of arsenates, a comprehensive 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) was undertaken, which led to a large number of new compounds, most of which have been published (Schwendtner & Kolitsch, 2007 ▸, 2017 ▸, 2018a ▸,b ▸, and references therein).

Among the many different structure types found during our study, one atomic arrangement, i.e. the RbFe(HPO4)2 type (Lii & Wu, 1994 ▸; rhombohedral, R c), was found to show a large crystal–chemical flexibility which allows the incorporation of a wide variety of cations. A total of nine representatives of this structure type are presently known among M + M 3+(HTO4)2 (T = P, As) compounds containing Rb or Cs as the M + cation and Al, Ga, Fe or In as the M 3+ cation (Lesage et al., 2007 ▸; Lii & Wu, 1994 ▸; Schwendtner & Kolitsch, 2017 ▸, 2018a ▸,b ▸), including RbGa(HPO4)2 (Lesage et al., 2007 ▸). One of the title compounds, RbGa(HAsO4)2, is another new representative of the RbFe(HPO4)2 structure type. The second title compound, RbGa2As(HAsO4)6, is the third representative of a recently described variation of the RbFe(HPO4)2 type, the RbAl2As(HAsO4)6 type. It also crystallizes in R c and up to now members with RbAl and CsFe as M + M 3+ cation combinations are known (Schwendtner & Kolitsch, 2018b ▸). Inter­estingly, all presently known M + M 3+ combinations adopting this new structure type also have representatives adopting the RbFe(HPO4)2 type. It thus seems likely that more of the known RbFe(HPO4)2-type arsenates would also adopt the new RbAl2As(HAsO4)6-type atomic arrangement under formally ‘dry’ synthesis conditions (see §3). RbGa2As(HAsO4)6 is a rare example of a compound containing AsO6 octa­hedra. Out of all reported arsenates(V), only about 3% contain AsO6 polyhedra, according to our earlier review paper (Schwendtner & Kolitsch, 2007 ▸), which provides an overview of all known compounds containing AsO6 groups and their bond-length statistics. At present, 37 compounds containing As in an octa­hedral coordination are known (Schwendtner & Kolitsch, 2018b ▸); RbGa2As(HAsO4)6 represents the 38th member of this class of compounds. While 12 Rb- and Ga-containing phosphates are contained in the ICSD (FIZ, 2018 ▸), only one Rb–Ga arsenate, i.e. RbGaF3(H2AsO4) (Marshall et al., 2015 ▸), is known so far. Since submitting this paper, another paper dealing with isotypic M + M 3+ 2As(HAsO4)6 compounds (M + M 3+ = TlGa, CsGa, CsAl) has been published (Schwendtner & Kolitsch, 2018c ▸).

Structural commentary

The two title compounds are very closely related to each other and are modifications of a basic tetra­hedral–octa­hedral framework structure featuring inter­penetrating channels, which host the M + cations (Fig. 1 ▸). The two structure types, first reported for RbFe(HPO4)2 (R c; Lii & Wu, 1994 ▸) and RbAl2As(HAsO4)6 (R c; Schwendtner & Kolitsch, 2018b ▸), are also related to the triclinic (NH4)Fe(HPO4)2 type (P ; Yakubovich, 1993 ▸) and the RbAl(HAsO4)2 type (R32; Schwendtner & Kolitsch, 2018b ▸). 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. 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 (Fig. 2 ▸). The M 3+As6O24 units are arranged in layers perpendicular to the c hex axis (Fig. 1 ▸). The units within these layers are held together by medium–strong hydrogen bonds (Tables 1 ▸ and 2 ▸). Both title compounds invariably show a very similar crystal habit: strongly pseudohexa­gonal to pseudo-octa­hedral (cf. Fig. 3 ▸).

Figure 1

Crystal structure drawings of (a) RbGa2As(HAsO4)6 and (b) RbGa(HAsO4)2 in views along the b axis. A part of the GaO6 octa­hedra is replaced by AsO6 octa­hedra in RbGa2As(HAsO4)6; the corresponding layers (see Figs. 2 ▸ and 3 ▸) are compressed along c and the corresponding void remains vacant of Rb atoms.

Figure 2

Crystal structure drawings of (a) RbGa(HAsO4)2 and (b) RbGa2As(HAsO4)6 inequal layers, viewed along the c axis. In this layer, the GaO6 octa­hedra are replaced by AsO6 octa­hedra in RbGa2As(HAsO4)6 (b). Since the unit-cell dimensions in directions a and b are slightly longer in RbGa2As(HAsO4)6 and the AsO6 octa­hedra are smaller than the corresponding GaO6 octa­hedra, the (Ga/As)As6O24 units within this layer move further apart – leading to longer D—H⋯A distances and a compressed (along c) void that is too small for Rb atoms (compare Fig. 1 ▸).

Table 1

Hydrogen-bond geometry (Å, °) for RbGa(HAsO4)2

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H⋯O4xxi	0.85 (3)	1.76 (3)	2.598 (2)	168 (4)

Symmetry code: (xxi) .

Table 2

Hydrogen-bond geometry (Å, °) for RbGa2As(HAsO4)6

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H⋯O4xiv	0.80 (3)	1.98 (3)	2.7314 (17)	158 (3)

Symmetry code: (xiv) .

Figure 3

SEM micrograph of the pseudohexa­gonal tabular crystals of RbGa(HAsO4)2.

The new compound RbGa2As(HAsO4)6 could only be grown by ‘dry’ hydro­thermal techniques (without the addition of water). The extreme abundance of As during the synthesis and the formation of a melt of arsenic acid promotes the formation of this novel structure type and endorses the octa­hedral coordination of As. The substitution of one third of all Ga3+ cations by As5+ requires that two thirds of all Rb+ cations are omitted to achieve charge balance (compare Figs. 1 ▸ a, 1b, 2 ▸ a and 2b). This substitution also has an effect on the unit-cell parameters (Table 3 ▸) and the pore diameter. Since GaO6 is only replaced by AsO6 in every second layer (perpendicular to the c axis), the a axis must remain long enough to still be able to house the GaO6 in the layers between. The effect of the smaller AsO6 octa­hedra is therefore mainly reflected by a strong compression of about 5% along the c axis, while the a axis becomes even slightly longer compared to RbGa(HAsO4)2. Due to the comparatively smaller AsO6 octa­hedra, the (Ga/As)As6O24 units are further apart in RbGa2As(HAsO4)6 and the encased void is compressed along c, making it too small to house Rb+ cations (Figs. 1 ▸ and 2 ▸). This effect is also reflected by the considerably elongated hydrogen bond in RbGa2As(HAsO4)6. While these bonds, which connect neighbouring (Ga/As)As6O24 groups, are very strong in RbGa(HAsO4)2 [D—H⋯A = 2.598 (2) Å], they are much longer in RbGa2As(HAsO4)6 [2.7314 (17) Å; compare Tables 1 ▸ and 2 ▸]. The second layer, in contrast, remains practically identical in both compounds and contains Rb atoms with a slight positional disorder (Fig. 4 ▸). In both compounds, the Rb atoms are 12-coordinated (Figs. 2 ▸ and 3 ▸), and the average Rb—O bond lengths in RbGa2As(HAsO4)6 (3.433 Å) are longer than the longest average bond length in RbO12 polyhedra of 3.410 Å reported so far (Gagné & Hawthorne, 2016 ▸), thus leading to rather low bond-valence sums (BVSs; Gagné & Hawthorne, 2015 ▸) of only 0.59 valence units (v.u.), whereas the corresponding BVSs are 0.82 and 0.84 v.u. for RbGa(HAsO4)2. These loose bondings lead to considerable positional disorder of the Rb+ cations in these voids, which were modelled with two Rb positions, between 0.41 (2) and 0.42 (4) Å apart. While position Rb1A in the centre of the large framework void in RbGa2As(HAsO4)6 has only 77% occupancy compared to the off-centre position Rb1B (with occupancy 23%), in RbGa(HAsO4)2, the central position Rb1A has 91% occupancy. Similar behaviour was observed for the isotypic CsFe and RbAl compounds (Schwendtner & Kolitsch, 2018b ▸), as well as isotypic phosphates (Lesage et al., 2007 ▸).

Table 3

Experimental details

	RbGa(HAsO4)2	RbGa2As(HAsO4)6
Crystal data
Chemical formula	RbGa(HAsO4)2	RbGa2As(HAsO4)6
M r	435.05	1139.40
Crystal system, space group	Trigonal, R c:H	Trigonal, R c:H
Temperature (K)	293	293
a, c (Å)	8.385 (1), 53.880 (11)	8.491 (1), 50.697 (11)
V (Å3)	3280.7 (10)	3165.4 (10)
Z	18	6
Radiation type	Mo Kα	Mo Kα
μ (mm−1)	19.42	15.85
Crystal size (mm)	0.07 × 0.07 × 0.02	0.13 × 0.12 × 0.12
Data collection
Diffractometer	Nonius KappaCCD single-crystal four-circle	Nonius KappaCCD single-crystal four-circle
Absorption correction	Multi-scan (SCALEPACK; Otwinowski et al., 2003 ▸)	Multi-scan (SCALEPACK; Otwinowski et al., 2003 ▸)
T min, T max	0.343, 0.697	0.232, 0.252
No. of measured, independent and observed [I > 2σ(I)] reflections	3896, 1079, 1027	4684, 1287, 1196
R int	0.016	0.016
(sin θ/λ)max (Å−1)	0.704	0.757
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.016, 0.040, 1.11	0.014, 0.034, 1.13
No. of reflections	1079	1287
No. of parameters	68	65
No. of restraints	2	2
H-atom treatment	All H-atom parameters refined	All H-atom parameters refined
Δρmax, Δρmin (e Å−3)	0.79, −0.53	0.75, −0.84

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

Figure 4

Crystal structure drawing of (a) RbGa(HAsO4)2 and (b) RbGa2As(HAsO4)6 equal layers, viewed along the a axis. In these topologically equivalent layers, there are no visible differences between the two structure types apart from very minor changes in the hydrogen-bond geometries. The Rb atoms in both compounds show a slight positional disorder and are 12-coordinated.

A further indirect effect of the substituting AsO6 octa­hedra is a distinct change in the As—O distances of the AsO4 tetra­hedra. The average As—O distance in the protonated AsO4 tetra­hedra, with values between 1.688 and 1.689 Å, is in both compounds very close to the statistical average of 1.686 (10) Å (Schwendtner, 2008 ▸). Also the BVSs (Gagné & Hawthorne, 2015 ▸) are close to ideal values (4.98–5.00 v.u.). In RbGa(HAsO4)2, the HAsO4 tetra­hedra show a typical distortion, with three short As—O distances to attached GaO6 octa­hedra and one elongated As—O bond length for the protonated O atom involved in the O—H bond. That bond length (Table 4 ▸) in RbGa(HAsO4)2 is slightly longer [1.7417 (17) Å] than the average distance of As—O⋯H bonds in HAsO4 groups [1.72 (3) Å; Schwendtner, 2008 ▸]. In contrast, RbGa2As(HAsO4)6 has two short [4]As—O bond lengths to neighbouring GaO6 octa­hedra, but the [4]As—O bond length of the O atom shared with the AsO6 octa­hedra is also elongated [1.7100 (11) Å] due to [4]As—O—[6]As repulsion. The [4]As—OH bond is therefore shortened to 1.7122 (13) Å (Table 5 ▸). The average As—O distances in the AsO6 octa­hedra are the shortest average distances of AsO6 octa­hedra found so far, i.e. 1.807 Å, leading to rather high BVSs of 5.33 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 (2007 ▸ a); this value was determined on 33 AsO6 octa­hedra of 31 compounds. Gagné & Hawthorne (2018 ▸) determined an identical, but less precise, value of 1.830 (28) Å, based on only 13 AsO6 octa­hedra in AsO6-containing compounds meeting all selection criteria as defined in Gagné & Hawthorne (2016 ▸). However, a larger number of compounds meeting these criteria were not used by Gagné & Hawthorne (2018 ▸) for unknown reasons. The average Ga—O bond lengths of the octa­hedrally coordinated Ga cations (1.962–1.964 Å) are slightly shorter than the grand mean average of 1.978 (17) Å (Gagné & Hawthorne, 2018 ▸), explaining the corresponding BVSs of 3.10 to 3.11 v.u.

Table 4

Selected bond lengths (Å) for RbGa(HAsO4)2

Rb1A—O3i	3.197 (2)	Rb2—O4xi	3.4960 (16)
Rb1A—O3ii	3.197 (2)	Rb2—O3xii	3.5327 (19)
Rb1A—O3iii	3.197 (2)	Rb2—O3xiii	3.533 (2)
Rb1A—O3iv	3.197 (2)	Rb2—O3xiv	3.5328 (19)
Rb1A—O3v	3.197 (2)	Ga1—O2xv	1.9596 (14)
Rb1A—O3	3.197 (2)	Ga1—O2iii	1.9597 (15)
Rb1A—O2ii	3.3698 (16)	Ga1—O2xvi	1.9597 (15)
Rb1A—O2iii	3.3698 (16)	Ga1—O4xvii	1.9690 (15)
Rb1A—O2v	3.3699 (16)	Ga1—O4iv	1.9690 (15)
Rb1A—O2	3.3699 (16)	Ga1—O4xviii	1.9690 (15)
Rb1A—O2i	3.3699 (15)	Ga2—O1viii	1.9625 (15)
Rb1A—O2iv	3.3699 (15)	Ga2—O1xiv	1.9625 (16)
Rb2—O3	2.9346 (17)	Ga2—O1xix	1.9625 (15)
Rb2—O3iv	2.9347 (17)	Ga2—O1iv	1.9626 (15)
Rb2—O3iii	2.9347 (17)	Ga2—O1xviii	1.9626 (16)
Rb2—O1vi	3.3714 (16)	Ga2—O1xvii	1.9626 (15)
Rb2—O1vii	3.3715 (16)	As—O1xx	1.6576 (15)
Rb2—O1viii	3.3715 (17)	As—O2	1.6724 (15)
Rb2—O4ix	3.4960 (16)	As—O4ii	1.6805 (15)
Rb2—O4x	3.4960 (17)	As—O3	1.7417 (17)

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) ; (viii) ; (ix) ; (x) ; (xi) ; (xii) ; (xiii) ; (xiv) ; (xv) ; (xvi) ; (xvii) ; (xviii) ; (xix) ; (xx) .

Table 5

Selected bond lengths (Å) for RbGa2As(HAsO4)6

Rb1A—O3i	3.4212 (16)	Ga1—O4vii	1.9623 (11)
Rb1A—O3ii	3.4212 (16)	Ga1—O2viii	1.9625 (11)
Rb1A—O3iii	3.4212 (15)	Ga1—O2iii	1.9625 (11)
Rb1A—O3iv	3.4212 (16)	Ga1—O2ix	1.9625 (11)
Rb1A—O3v	3.4212 (15)	As1—O1x	1.8067 (11)
Rb1A—O3	3.4213 (16)	As1—O1xi	1.8068 (11)
Rb1A—O2ii	3.4438 (12)	As1—O1xii	1.8068 (11)
Rb1A—O2iii	3.4438 (12)	As1—O1v	1.8068 (11)
Rb1A—O2	3.4438 (12)	As1—O1vii	1.8068 (11)
Rb1A—O2iv	3.4438 (12)	As1—O1vi	1.8068 (11)
Rb1A—O2i	3.4438 (12)	As2—O2	1.6658 (11)
Rb1A—O2v	3.4438 (12)	As2—O4ii	1.6670 (11)
Ga1—O4vi	1.9623 (12)	As2—O1xiii	1.7100 (11)
Ga1—O4v	1.9623 (11)	As2—O3	1.7122 (13)

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) ; (viii) ; (ix) ; (x) ; (xi) ; (xii) ; (xiii) .

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 ml. Reagent-grade Rb2CO3, Ga2O3 and H3AsO4·0.5H2O were used as starting reagents in approximate volume ratios of Rb:Ga:As of 1:1:3 for both synthesis batches. For RbGa(HAsO4)2 the vessels were filled with distilled water to about 70% of their inner volumes, which led to initial and final pH values of 1.5. The reaction product was washed thoroughly with distilled water, filtered and dried at room temperature. RbGa(HAsO4)2 formed colourless pseudohexa­gonal platelets (Fig. 3 ▸) and is stable in air.

For RbGa2As(HAsO4)6, which contains As in both tetra­hedral and octa­hedral coordination, no additional water was added and arsenic acid was present in excess to promote the growth of crystals from a melt or even vapour of arsenic acid under extremely acidic conditions. RbGa2As(HAsO4)6 formed large colourless pseudo-octa­hedral crystals accompanied by small colourless twinned crystals of RbH3As4O12 (Schwendtner & Kolitsch, 2007 ▸). The crystals of RbGa2As(HAsO4)6 were extracted mechanically and not further washed; they are hygroscopic and decompose slowly over a period of several years to an amorphous gel and a new, strongly protonated diarsenate containing Rb and Ga (P321, publication in preparation). This slow partial alteration is illustrated in an X-ray powder diffraction pattern (Fig. 5 ▸).

Figure 5

Graph of the Rietveld refinement (TOPAS; Bruker, 2009 ▸) of RbGa2As(HAsO4)6, showing the partial alteration of the pseudo-octa­hedral crystals after an 11-year storage in air. The crystals were hygroscopic and had partly transformed to an amorphous mass. The presence of the relics of the unaltered primary crystals are still visible (pink curve), but a newly crystallized overgrowth of extremely fine fibrous crystals could be attributed to a new strongly protonated Rb–Ga diarsenate with space group P321 (dark-red curve), which will be the subject of a future publication.

A measured X-ray powder diffraction diagram of RbGa(HAsO4)2 was deposited at the Inter­national Centre for Diffraction Data under PDF number 00-057-0239 (Wohl­schlaeger et al., 2006 ▸).

Experimental and refinement

Crystal data, data collection and structure refinement are given in Table 3 ▸. For the refinement of RbGa(HAsO4)2, the coordinates of RbFe(HPO4)2 (Lii & Wu, 1994 ▸) were used for the final refinement steps. H atoms were then located from difference Fourier maps and added to the model. For the refinement of RbGa2As(HAsO4)6, the model for RbAl2As(HAsO4)6 (Schwendtner & Kolitsch, 2018b ▸) was used as a starting point. In both compounds, O—H bonds were restrained to 0.9±0.04 Å. During the last refinement steps, residual electron-density peaks of up to 3.83 and 1.16 e Å−3 were located 0.63 and 0.68 Å from the Rb sites in RbGa2As(HAsO4)6 and RbGa(HAsO4)2, respectively, suggesting irregular displacement parameters and split positions, similar to what was found for RbFe(HPO4)2-type RbAl(HPO4)2 (Lesage et al., 2007 ▸). Therefore, a further position, Rb1B, was included in both refinements, which refined to low occupancies and led to considerable decreases in the R factors and weight parameters for both compounds. The bulk occupancies of Rb1A + Rb1B were constrained to give a total occupancy of 1.00. The final residual electron densities in both compounds are < 1 e Å−3.

Crystal structure: contains datablock(s) RbGa2AsHAsO46, RbGaHAsO42, global. DOI: 10.1107/S2056989018011180/ff2155sup1.cif

Structure factors: contains datablock(s) RbGa2AsHAsO46. DOI: 10.1107/S2056989018011180/ff2155RbGa2AsHAsO46sup2.hkl

Structure factors: contains datablock(s) RbGaHAsO42. DOI: 10.1107/S2056989018011180/ff2155RbGaHAsO42sup3.hkl

CCDC references: 1860366, 1860365

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

RbGa2As(HAsO4)6	Dx = 3.586 Mg m−3
Mr = 1139.40	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3c:H	Cell parameters from 2570 reflections
a = 8.491 (1) Å	θ = 2.0–32.6°
c = 50.697 (11) Å	µ = 15.85 mm−1
V = 3165.4 (10) Å3	T = 293 K
Z = 6	Large pseudo-octahedra, colourless
F(000) = 3168	0.13 × 0.12 × 0.12 mm

Nonius KappaCCD single-crystal four-circle diffractometer	1196 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.016
φ and ω scans	θmax = 32.5°, θmin = 2.4°
Absorption correction: multi-scan (SCALEPACK; Otwinowski et al., 2003)	h = −12→12
Tmin = 0.232, Tmax = 0.252	k = −10→10
4684 measured reflections	l = −75→76
1287 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)] = 0.014	All H-atom parameters refined
wR(F2) = 0.034	w = 1/[σ2(Fo2) + (0.0136P)2 + 10.4877P] where P = (Fo2 + 2Fc2)/3
S = 1.13	(Δ/σ)max = 0.008
1287 reflections	Δρmax = 0.75 e Å−3
65 parameters	Δρmin = −0.83 e Å−3
2 restraints	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.000271 (17)

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)
Rb1A	0.000000	0.000000	0.750000	0.055 (3)	0.669 (3)
Rb1B	0.000000	−0.048 (2)	0.750000	0.0359 (11)	0.1103 (9)
Ga1	0.333333	0.666667	0.75604 (2)	0.00736 (6)
As1	0.333333	0.666667	0.666667	0.00627 (7)
As2	−0.44400 (2)	−0.40772 (2)	0.71144 (2)	0.00735 (5)
O1	0.40249 (16)	−0.46597 (15)	0.68629 (2)	0.01016 (19)
O2	−0.45254 (15)	−0.27043 (15)	0.73416 (2)	0.01025 (19)
O3	−0.22887 (17)	−0.28592 (18)	0.69874 (3)	0.0194 (3)
O4	0.48817 (15)	−0.12495 (15)	0.77869 (2)	0.0108 (2)
H	−0.176 (4)	−0.337 (4)	0.7027 (6)	0.046 (9)*

	U11	U22	U33	U12	U13	U23
Rb1A	0.050 (4)	0.050 (4)	0.066 (2)	0.0251 (18)	0.000	0.000
Rb1B	0.024 (4)	0.034 (4)	0.046 (4)	0.012 (2)	0.0044 (14)	0.0022 (7)
Ga1	0.00807 (8)	0.00807 (8)	0.00596 (12)	0.00403 (4)	0.000	0.000
As1	0.00747 (10)	0.00747 (10)	0.00389 (14)	0.00373 (5)	0.000	0.000
As2	0.00844 (7)	0.00803 (7)	0.00670 (7)	0.00495 (5)	0.00010 (5)	0.00053 (5)
O1	0.0138 (5)	0.0110 (5)	0.0078 (4)	0.0077 (4)	−0.0031 (4)	0.0000 (4)
O2	0.0109 (5)	0.0099 (5)	0.0098 (5)	0.0051 (4)	0.0005 (4)	−0.0022 (4)
O3	0.0121 (5)	0.0203 (6)	0.0264 (7)	0.0084 (5)	0.0076 (5)	0.0075 (5)
O4	0.0124 (5)	0.0095 (5)	0.0125 (5)	0.0070 (4)	−0.0030 (4)	−0.0042 (4)

Rb1A—Rb1Bi	0.41 (2)	Rb1B—O2	3.4234 (12)
Rb1A—Rb1Bii	0.41 (2)	Rb1B—O2iv	3.4234 (12)
Rb1A—O3iii	3.4212 (16)	Rb1B—O3iii	3.694 (14)
Rb1A—O3iv	3.4212 (16)	Rb1B—O3ii	3.694 (14)
Rb1A—O3ii	3.4212 (15)	Rb1B—O2ii	3.810 (18)
Rb1A—O3v	3.4212 (16)	Rb1B—O2iii	3.810 (18)
Rb1A—O3i	3.4212 (15)	Rb1B—O4vi	3.819 (18)
Rb1A—O3	3.4213 (16)	Rb1B—O4vii	3.819 (18)
Rb1A—O2iv	3.4438 (12)	Rb1B—As2v	3.934 (8)
Rb1A—O2ii	3.4438 (12)	Rb1B—As2i	3.934 (8)
Rb1A—O2	3.4438 (12)	Ga1—O4viii	1.9623 (12)
Rb1A—O2v	3.4438 (12)	Ga1—O4i	1.9623 (11)
Rb1A—O2iii	3.4438 (12)	Ga1—O4ix	1.9623 (11)
Rb1A—O2i	3.4438 (12)	Ga1—O2x	1.9625 (11)
Rb1A—As2iv	4.1192 (5)	Ga1—O2ii	1.9625 (11)
Rb1A—As2iii	4.1192 (5)	Ga1—O2xi	1.9625 (11)
Rb1A—As2v	4.1192 (5)	As1—O1xii	1.8067 (11)
Rb1A—As2ii	4.1192 (4)	As1—O1xiii	1.8068 (11)
Rb1B—Rb1Bi	0.70 (3)	As1—O1xiv	1.8068 (11)
Rb1B—Rb1Bii	0.70 (3)	As1—O1i	1.8068 (11)
Rb1B—O2v	3.136 (14)	As1—O1ix	1.8068 (11)
Rb1B—O2i	3.136 (14)	As1—O1viii	1.8068 (11)
Rb1B—O3iv	3.269 (6)	As2—O2	1.6658 (11)
Rb1B—O3	3.269 (6)	As2—O4iv	1.6670 (11)
Rb1B—O3v	3.358 (2)	As2—O1xv	1.7100 (11)
Rb1B—O3i	3.358 (2)	As2—O3	1.7122 (13)
Rb1Bi—Rb1A—Rb1Bii	120.00 (7)	Rb1Bii—Rb1B—O4vii	153.31 (7)
Rb1Bi—Rb1A—O3iii	64.81 (2)	O2v—Rb1B—O4vii	53.4 (3)
Rb1Bii—Rb1A—O3iii	77.69 (5)	O2i—Rb1B—O4vii	45.1 (2)
Rb1Bi—Rb1A—O3iv	77.69 (2)	O3iv—Rb1B—O4vii	44.49 (19)
Rb1Bii—Rb1A—O3iv	129.70 (3)	O3—Rb1B—O4vii	98.0 (5)
O3iii—Rb1A—O3iv	68.57 (4)	O3v—Rb1B—O4vii	76.7 (3)
Rb1Bi—Rb1A—O3ii	77.69 (2)	O3i—Rb1B—O4vii	93.3 (3)
Rb1Bii—Rb1A—O3ii	64.81 (5)	O2—Rb1B—O4vii	109.4 (4)
O3iii—Rb1A—O3ii	100.59 (5)	O2iv—Rb1B—O4vii	71.6 (2)
O3iv—Rb1A—O3ii	155.38 (5)	O3iii—Rb1B—O4vii	109.34 (9)
Rb1Bi—Rb1A—O3v	129.70 (2)	O3ii—Rb1B—O4vii	157.2 (3)
Rb1Bii—Rb1A—O3v	64.81 (5)	O2ii—Rb1B—O4vii	144.11 (3)
O3iii—Rb1A—O3v	68.57 (4)	O2iii—Rb1B—O4vii	144.95 (3)
O3iv—Rb1A—O3v	68.57 (4)	O4vi—Rb1B—O4vii	53.5 (3)
O3ii—Rb1A—O3v	129.62 (5)	Rb1Bi—Rb1B—As2v	137.8 (2)
Rb1Bi—Rb1A—O3i	64.81 (2)	Rb1Bii—Rb1B—As2v	88.8 (3)
Rb1Bii—Rb1A—O3i	129.70 (3)	O2v—Rb1B—As2v	24.03 (3)
O3iii—Rb1A—O3i	129.62 (5)	O2i—Rb1B—As2v	107.9 (5)
O3iv—Rb1A—O3i	100.59 (5)	O3iv—Rb1B—As2v	82.2 (2)
O3ii—Rb1A—O3i	68.57 (4)	O3—Rb1B—As2v	82.5 (2)
O3v—Rb1A—O3i	155.38 (4)	O3v—Rb1B—As2v	25.63 (7)
Rb1Bi—Rb1A—O3	129.70 (2)	O3i—Rb1B—As2v	145.3 (5)
Rb1Bii—Rb1A—O3	77.69 (5)	O2—Rb1B—As2v	51.65 (8)
O3iii—Rb1A—O3	155.38 (4)	O2iv—Rb1B—As2v	128.9 (3)
O3iv—Rb1A—O3	129.62 (5)	O3iii—Rb1B—As2v	91.62 (8)
O3ii—Rb1A—O3	68.57 (4)	O3ii—Rb1B—As2v	123.66 (15)
O3v—Rb1A—O3	100.59 (5)	O2ii—Rb1B—As2v	138.7 (4)
O3i—Rb1A—O3	68.57 (4)	O2iii—Rb1B—As2v	90.34 (14)
Rb1Bi—Rb1A—O2iv	38.519 (18)	O4vi—Rb1B—As2v	68.6 (3)
Rb1Bii—Rb1A—O2iv	153.03 (7)	O4vii—Rb1B—As2v	67.9 (3)
O3iii—Rb1A—O2iv	76.93 (3)	Rb1Bi—Rb1B—As2i	88.8 (2)
O3iv—Rb1A—O2iv	45.66 (3)	Rb1Bii—Rb1B—As2i	137.8 (2)
O3ii—Rb1A—O2iv	111.42 (3)	O2v—Rb1B—As2i	107.9 (5)
O3v—Rb1A—O2iv	113.17 (3)	O2i—Rb1B—As2i	24.03 (3)
O3i—Rb1A—O2iv	63.90 (3)	O3iv—Rb1B—As2i	82.5 (2)
O3—Rb1A—O2iv	127.31 (3)	O3—Rb1B—As2i	82.2 (2)
Rb1Bi—Rb1A—O2ii	38.519 (18)	O3v—Rb1B—As2i	145.3 (5)
Rb1Bii—Rb1A—O2ii	83.75 (7)	O3i—Rb1B—As2i	25.63 (7)
O3iii—Rb1A—O2ii	63.90 (3)	O2—Rb1B—As2i	128.9 (3)
O3iv—Rb1A—O2ii	111.42 (3)	O2iv—Rb1B—As2i	51.65 (8)
O3ii—Rb1A—O2ii	45.66 (3)	O3iii—Rb1B—As2i	123.66 (15)
O3v—Rb1A—O2ii	127.31 (3)	O3ii—Rb1B—As2i	91.62 (8)
O3i—Rb1A—O2ii	76.93 (3)	O2ii—Rb1B—As2i	90.34 (14)
O3—Rb1A—O2ii	113.17 (3)	O2iii—Rb1B—As2i	138.7 (4)
O2iv—Rb1A—O2ii	77.04 (4)	O4vi—Rb1B—As2i	67.9 (3)
Rb1Bi—Rb1A—O2	153.035 (19)	O4vii—Rb1B—As2i	68.6 (3)
Rb1Bii—Rb1A—O2	38.52 (7)	As2v—Rb1B—As2i	131.0 (5)
O3iii—Rb1A—O2	111.42 (3)	O4viii—Ga1—O4i	89.24 (5)
O3iv—Rb1A—O2	127.31 (3)	O4viii—Ga1—O4ix	89.24 (5)
O3ii—Rb1A—O2	76.93 (3)	O4i—Ga1—O4ix	89.24 (5)
O3v—Rb1A—O2	63.90 (3)	O4viii—Ga1—O2x	91.13 (5)
O3i—Rb1A—O2	113.17 (3)	O4i—Ga1—O2x	88.49 (5)
O3—Rb1A—O2	45.67 (3)	O4ix—Ga1—O2x	177.69 (5)
O2iv—Rb1A—O2	167.50 (4)	O4viii—Ga1—O2ii	177.69 (5)
O2ii—Rb1A—O2	114.733 (13)	O4i—Ga1—O2ii	91.13 (5)
Rb1Bi—Rb1A—O2v	153.03 (2)	O4ix—Ga1—O2ii	88.48 (5)
Rb1Bii—Rb1A—O2v	83.75 (8)	O2x—Ga1—O2ii	91.17 (5)
O3iii—Rb1A—O2v	113.17 (3)	O4viii—Ga1—O2xi	88.48 (5)
O3iv—Rb1A—O2v	76.93 (3)	O4i—Ga1—O2xi	177.69 (5)
O3ii—Rb1A—O2v	127.31 (3)	O4ix—Ga1—O2xi	91.12 (5)
O3v—Rb1A—O2v	45.66 (3)	O2x—Ga1—O2xi	91.16 (5)
O3i—Rb1A—O2v	111.42 (3)	O2ii—Ga1—O2xi	91.16 (5)
O3—Rb1A—O2v	63.91 (3)	O4viii—Ga1—Rb1Bviii	82.77 (12)
O2iv—Rb1A—O2v	114.733 (13)	O4i—Ga1—Rb1Bviii	55.65 (8)
O2ii—Rb1A—O2v	167.50 (4)	O4ix—Ga1—Rb1Bviii	143.89 (7)
O2—Rb1A—O2v	53.93 (4)	O2x—Ga1—Rb1Bviii	33.99 (5)
Rb1Bi—Rb1A—O2iii	83.749 (19)	O2ii—Ga1—Rb1Bviii	99.31 (13)
Rb1Bii—Rb1A—O2iii	38.52 (7)	O2xi—Ga1—Rb1Bviii	123.61 (10)
O3iii—Rb1A—O2iii	45.66 (3)	O4viii—Ga1—Rb1Bi	143.89 (6)
O3iv—Rb1A—O2iii	113.17 (3)	O4i—Ga1—Rb1Bi	82.77 (12)
O3ii—Rb1A—O2iii	63.90 (3)	O4ix—Ga1—Rb1Bi	55.65 (8)
O3v—Rb1A—O2iii	76.93 (3)	O2x—Ga1—Rb1Bi	123.61 (9)
O3i—Rb1A—O2iii	127.31 (3)	O2ii—Ga1—Rb1Bi	33.99 (5)
O3—Rb1A—O2iii	111.42 (3)	O2xi—Ga1—Rb1Bi	99.31 (12)
O2iv—Rb1A—O2iii	114.732 (14)	Rb1Bviii—Ga1—Rb1Bi	119.554 (12)
O2ii—Rb1A—O2iii	53.93 (4)	O4viii—Ga1—Rb1Bix	55.65 (10)
O2—Rb1A—O2iii	77.04 (4)	O4i—Ga1—Rb1Bix	143.89 (7)
O2v—Rb1A—O2iii	114.731 (14)	O4ix—Ga1—Rb1Bix	82.77 (13)
Rb1Bi—Rb1A—O2i	83.749 (19)	O2x—Ga1—Rb1Bix	99.31 (14)
Rb1Bii—Rb1A—O2i	153.03 (7)	O2ii—Ga1—Rb1Bix	123.61 (9)
O3iii—Rb1A—O2i	127.31 (3)	O2xi—Ga1—Rb1Bix	33.99 (6)
O3iv—Rb1A—O2i	63.90 (3)	Rb1Bviii—Ga1—Rb1Bix	119.554 (7)
O3ii—Rb1A—O2i	113.17 (3)	Rb1Bi—Ga1—Rb1Bix	119.554 (2)
O3v—Rb1A—O2i	111.42 (3)	O4viii—Ga1—Rb1Aviii	80.57 (3)
O3i—Rb1A—O2i	45.66 (3)	O4i—Ga1—Rb1Aviii	57.14 (3)
O3—Rb1A—O2i	76.93 (3)	O4ix—Ga1—Rb1Aviii	144.67 (3)
O2iv—Rb1A—O2i	53.93 (4)	O2x—Ga1—Rb1Aviii	33.28 (3)
O2ii—Rb1A—O2i	114.732 (13)	O2ii—Ga1—Rb1Aviii	101.54 (3)
O2—Rb1A—O2i	114.732 (13)	O2xi—Ga1—Rb1Aviii	122.02 (3)
O2v—Rb1A—O2i	77.04 (4)	Rb1Bviii—Ga1—Rb1Aviii	2.56 (14)
O2iii—Rb1A—O2i	167.50 (4)	Rb1Bi—Ga1—Rb1Aviii	122.12 (13)
Rb1Bi—Rb1A—As2iv	60.329 (4)	Rb1Bix—Ga1—Rb1Aviii	117.05 (14)
Rb1Bii—Rb1A—As2iv	151.382 (12)	O4viii—Ga1—Rb1A	144.67 (3)
O3iii—Rb1A—As2iv	77.70 (2)	O4i—Ga1—Rb1A	80.57 (3)
O3iv—Rb1A—As2iv	24.04 (2)	O4ix—Ga1—Rb1A	57.14 (3)
O3ii—Rb1A—As2iv	134.60 (2)	O2x—Ga1—Rb1A	122.02 (3)
O3v—Rb1A—As2iv	92.58 (3)	O2ii—Ga1—Rb1A	33.28 (3)
O3i—Rb1A—As2iv	77.98 (3)	O2xi—Ga1—Rb1A	101.53 (3)
O3—Rb1A—As2iv	125.97 (2)	Rb1Bviii—Ga1—Rb1A	117.05 (14)
O2iv—Rb1A—As2iv	23.324 (18)	Rb1Bi—Ga1—Rb1A	2.56 (13)
O2ii—Rb1A—As2iv	98.261 (18)	Rb1Bix—Ga1—Rb1A	122.12 (13)
O2—Rb1A—As2iv	146.607 (19)	Rb1Aviii—Ga1—Rb1A	119.614 (1)
O2v—Rb1A—As2iv	92.721 (19)	O4viii—Ga1—Rb1Axi	57.14 (3)
O2iii—Rb1A—As2iv	122.596 (19)	O4i—Ga1—Rb1Axi	144.67 (4)
O2i—Rb1A—As2iv	49.72 (2)	O4ix—Ga1—Rb1Axi	80.57 (3)
Rb1Bi—Rb1A—As2iii	67.492 (4)	O2x—Ga1—Rb1Axi	101.53 (3)
Rb1Bii—Rb1A—As2iii	60.33 (6)	O2ii—Ga1—Rb1Axi	122.02 (3)
O3iii—Rb1A—As2iii	24.04 (2)	O2xi—Ga1—Rb1Axi	33.28 (3)
O3iv—Rb1A—As2iii	92.58 (3)	Rb1Bviii—Ga1—Rb1Axi	122.12 (14)
O3ii—Rb1A—As2iii	77.98 (3)	Rb1Bi—Ga1—Rb1Axi	117.05 (13)
O3v—Rb1A—As2iii	77.70 (2)	Rb1Bix—Ga1—Rb1Axi	2.56 (14)
O3i—Rb1A—As2iii	125.97 (2)	Rb1Aviii—Ga1—Rb1Axi	119.614 (1)
O3—Rb1A—As2iii	134.60 (2)	Rb1A—Ga1—Rb1Axi	119.614 (1)
O2iv—Rb1A—As2iii	92.720 (19)	O1xii—As1—O1xiii	92.59 (5)
O2ii—Rb1A—As2iii	49.72 (2)	O1xii—As1—O1xiv	92.59 (5)
O2—Rb1A—As2iii	98.261 (18)	O1xiii—As1—O1xiv	92.59 (5)
O2v—Rb1A—As2iii	122.595 (19)	O1xii—As1—O1i	87.41 (5)
O2iii—Rb1A—As2iii	23.323 (18)	O1xiii—As1—O1i	180.00 (9)
O2i—Rb1A—As2iii	146.608 (19)	O1xiv—As1—O1i	87.41 (5)
As2iv—Rb1A—As2iii	99.334 (9)	O1xii—As1—O1ix	180.0
Rb1Bi—Rb1A—As2v	151.382 (7)	O1xiii—As1—O1ix	87.41 (5)
Rb1Bii—Rb1A—As2v	67.49 (6)	O1xiv—As1—O1ix	87.41 (5)
O3iii—Rb1A—As2v	92.58 (3)	O1i—As1—O1ix	92.58 (5)
O3iv—Rb1A—As2v	77.70 (2)	O1xii—As1—O1viii	87.42 (5)
O3ii—Rb1A—As2v	125.97 (2)	O1xiii—As1—O1viii	87.42 (5)
O3v—Rb1A—As2v	24.04 (2)	O1xiv—As1—O1viii	180.00 (6)
O3i—Rb1A—As2v	134.60 (2)	O1i—As1—O1viii	92.58 (5)
O3—Rb1A—As2v	77.98 (3)	O1ix—As1—O1viii	92.58 (5)
O2iv—Rb1A—As2v	122.596 (19)	O2—As2—O4iv	117.31 (6)
O2ii—Rb1A—As2v	146.608 (19)	O2—As2—O1xv	115.10 (6)
O2—Rb1A—As2v	49.72 (2)	O4iv—As2—O1xv	100.43 (5)
O2v—Rb1A—As2v	23.323 (17)	O2—As2—O3	104.11 (6)
O2iii—Rb1A—As2v	92.72 (2)	O4iv—As2—O3	111.03 (6)
O2i—Rb1A—As2v	98.261 (19)	O1xv—As2—O3	108.86 (6)
As2iv—Rb1A—As2v	99.334 (9)	O2—As2—Rb1Bii	50.1 (3)
As2iii—Rb1A—As2v	99.334 (9)	O4iv—As2—Rb1Bii	114.68 (16)
Rb1Bi—Rb1A—As2ii	60.329 (3)	O1xv—As2—Rb1Bii	144.86 (16)
Rb1Bii—Rb1A—As2ii	67.49 (6)	O3—As2—Rb1Bii	58.0 (2)
O3iii—Rb1A—As2ii	77.98 (3)	O2—As2—Rb1B	58.6 (2)
O3iv—Rb1A—As2ii	134.60 (2)	O4iv—As2—Rb1B	106.7 (3)
O3ii—Rb1A—As2ii	24.04 (2)	O1xv—As2—Rb1B	151.7 (2)
O3v—Rb1A—As2ii	125.97 (2)	O3—As2—Rb1B	53.57 (7)
O3i—Rb1A—As2ii	77.70 (2)	Rb1Bii—As2—Rb1B	10.2 (5)
O3—Rb1A—As2ii	92.58 (2)	O2—As2—Rb1A	54.94 (4)
O2iv—Rb1A—As2ii	98.261 (18)	O4iv—As2—Rb1A	111.68 (4)
O2ii—Rb1A—As2ii	23.324 (18)	O1xv—As2—Rb1A	147.34 (4)
O2—Rb1A—As2ii	92.721 (19)	O3—As2—Rb1A	54.48 (5)
O2v—Rb1A—As2ii	146.607 (19)	Rb1Bii—As2—Rb1A	5.1 (3)
O2iii—Rb1A—As2ii	49.72 (2)	Rb1B—As2—Rb1A	5.4 (3)
O2i—Rb1A—As2ii	122.596 (19)	O2—As2—Rb1Bi	56.09 (6)
As2iv—Rb1A—As2ii	120.658 (6)	O4iv—As2—Rb1Bi	113.41 (9)
As2iii—Rb1A—As2ii	57.236 (12)	O1xv—As2—Rb1Bi	145.26 (10)
As2v—Rb1A—As2ii	134.983 (5)	O3—As2—Rb1Bi	52.42 (10)
Rb1Bi—Rb1B—Rb1Bii	60.00 (2)	Rb1Bii—As2—Rb1Bi	6.1 (3)
Rb1Bi—Rb1B—O2v	161.6 (2)	Rb1B—As2—Rb1Bi	6.7 (3)
Rb1Bii—Rb1B—O2v	108.4 (3)	Rb1A—As2—Rb1Bi	2.49 (11)
Rb1Bi—Rb1B—O2i	108.4 (2)	O2—As2—Rb1Bxvi	93.36 (7)
Rb1Bii—Rb1B—O2i	161.60 (17)	O4iv—As2—Rb1Bxvi	42.23 (4)
O2v—Rb1B—O2i	86.3 (5)	O1xv—As2—Rb1Bxvi	80.78 (10)
Rb1Bi—Rb1B—O3iv	91.2 (3)	O3—As2—Rb1Bxvi	153.23 (5)
Rb1Bii—Rb1B—O3iv	122.4 (3)	Rb1Bii—As2—Rb1Bxvi	126.58 (16)
O2v—Rb1B—O3iv	83.6 (3)	Rb1B—As2—Rb1Bxvi	125.4 (2)
O2i—Rb1B—O3iv	69.1 (3)	Rb1A—As2—Rb1Bxvi	127.56 (9)
Rb1Bi—Rb1B—O3	122.4 (3)	Rb1Bi—As2—Rb1Bxvi	130.05 (2)
Rb1Bii—Rb1B—O3	91.2 (3)	O2—As2—Rb1Axvii	94.58 (4)
O2v—Rb1B—O3	69.1 (3)	O4iv—As2—Rb1Axvii	42.53 (4)
O2i—Rb1B—O3	83.6 (3)	O1xv—As2—Rb1Axvii	79.08 (4)
O3iv—Rb1B—O3	142.5 (7)	O3—As2—Rb1Axvii	153.36 (5)
Rb1Bi—Rb1B—O3v	113.4 (3)	Rb1Bii—As2—Rb1Axvii	128.36 (6)
Rb1Bii—Rb1B—O3v	76.7 (3)	Rb1B—As2—Rb1Axvii	127.17 (12)
O2v—Rb1B—O3v	48.28 (11)	Rb1A—As2—Rb1Axvii	129.347 (10)
O2i—Rb1B—O3v	121.7 (5)	Rb1Bi—As2—Rb1Axvii	131.84 (12)
O3iv—Rb1B—O3v	71.12 (11)	Rb1Bxvi—As2—Rb1Axvii	1.79 (10)
O3—Rb1B—O3v	105.18 (19)	O2—As2—Rb1Bxviii	92.74 (11)
Rb1Bi—Rb1B—O3i	76.7 (3)	O4iv—As2—Rb1Bxviii	46.4 (2)
Rb1Bii—Rb1B—O3i	113.4 (3)	O1xv—As2—Rb1Bxviii	76.75 (13)
O2v—Rb1B—O3i	121.7 (5)	O3—As2—Rb1Bxviii	157.05 (19)
O2i—Rb1B—O3i	48.28 (11)	Rb1Bii—As2—Rb1Bxviii	129.10 (5)
O3iv—Rb1B—O3i	105.18 (19)	Rb1B—As2—Rb1Bxviii	128.75 (3)
O3—Rb1B—O3i	71.12 (11)	Rb1A—As2—Rb1Bxviii	130.52 (5)
O3v—Rb1B—O3i	169.0 (7)	Rb1Bi—As2—Rb1Bxviii	132.99 (17)
Rb1Bi—Rb1B—O2	118.6 (3)	Rb1Bxvi—As2—Rb1Bxviii	4.8 (2)
Rb1Bii—Rb1B—O2	60.4 (4)	Rb1Axvii—As2—Rb1Bxviii	3.88 (18)
O2v—Rb1B—O2	56.66 (12)	O2—As2—Rb1Bxvii	97.48 (15)
O2i—Rb1B—O2	124.3 (5)	O4iv—As2—Rb1Bxvii	39.02 (18)
O3iv—Rb1B—O2	133.6 (2)	O1xv—As2—Rb1Bxvii	79.91 (7)
O3—Rb1B—O2	46.84 (5)	O3—As2—Rb1Bxvii	149.72 (18)
O3v—Rb1B—O2	64.78 (4)	Rb1Bii—As2—Rb1Bxvii	129.012 (18)
O3i—Rb1B—O2	115.33 (5)	Rb1B—As2—Rb1Bxvii	127.02 (15)
Rb1Bi—Rb1B—O2iv	60.4 (3)	Rb1A—As2—Rb1Bxvii	129.587 (13)
Rb1Bii—Rb1B—O2iv	118.6 (3)	Rb1Bi—As2—Rb1Bxvii	132.07 (12)
O2v—Rb1B—O2iv	124.3 (5)	Rb1Bxvi—As2—Rb1Bxvii	4.2 (2)
O2i—Rb1B—O2iv	56.66 (12)	Rb1Axvii—As2—Rb1Bxvii	3.66 (17)
O3iv—Rb1B—O2iv	46.84 (5)	Rb1Bxviii—As2—Rb1Bxvii	7.4 (3)
O3—Rb1B—O2iv	133.6 (2)	As2xix—O1—As1xx	131.96 (6)
O3v—Rb1B—O2iv	115.33 (5)	As2xix—O1—Rb1Bvii	79.11 (18)
O3i—Rb1B—O2iv	64.78 (4)	As1xx—O1—Rb1Bvii	129.23 (10)
O2—Rb1B—O2iv	179.0 (7)	As2—O2—Ga1xvii	123.99 (6)
Rb1Bi—Rb1B—O3iii	48.36 (16)	As2—O2—Rb1Bii	105.9 (2)
Rb1Bii—Rb1B—O3iii	56.58 (15)	Ga1xvii—O2—Rb1Bii	125.54 (18)
O2v—Rb1B—O3iii	113.81 (3)	As2—O2—Rb1B	96.8 (3)
O2i—Rb1B—O3iii	128.32 (3)	Ga1xvii—O2—Rb1B	130.47 (10)
O3iv—Rb1B—O3iii	66.90 (12)	Rb1Bii—O2—Rb1B	11.2 (6)
O3—Rb1B—O3iii	147.5 (4)	As2—O2—Rb1A	101.74 (4)
O3v—Rb1B—O3iii	66.07 (15)	Ga1xvii—O2—Rb1A	128.51 (4)
O3i—Rb1B—O3iii	122.7 (4)	Rb1Bii—O2—Rb1A	4.6 (2)
O2—Rb1B—O3iii	105.6 (3)	Rb1B—O2—Rb1A	6.8 (3)
O2iv—Rb1B—O3iii	73.63 (18)	As2—O2—Rb1Bi	102.64 (6)
Rb1Bi—Rb1B—O3ii	56.58 (18)	Ga1xvii—O2—Rb1Bi	128.80 (4)
Rb1Bii—Rb1B—O3ii	48.36 (15)	Rb1Bii—O2—Rb1Bi	3.34 (18)
O2v—Rb1B—O3ii	128.32 (3)	Rb1B—O2—Rb1Bi	9.3 (4)
O2i—Rb1B—O3ii	113.81 (3)	Rb1A—O2—Rb1Bi	2.77 (12)
O3iv—Rb1B—O3ii	147.5 (4)	As2—O3—Rb1B	101.51 (6)
O3—Rb1B—O3ii	66.90 (12)	As2—O3—Rb1Bii	96.3 (3)
O3v—Rb1B—O3ii	122.7 (4)	Rb1B—O3—Rb1Bii	12.1 (6)
O3i—Rb1B—O3ii	66.07 (15)	As2—O3—Rb1A	101.48 (6)
O2—Rb1B—O3ii	73.63 (18)	Rb1B—O3—Rb1A	6.5 (3)
O2iv—Rb1B—O3ii	105.6 (3)	Rb1Bii—O3—Rb1A	6.8 (3)
O3iii—Rb1B—O3ii	90.9 (4)	As2—O3—Rb1Bi	106.0 (2)
Rb1Bi—Rb1B—O2ii	15.05 (2)	Rb1B—O3—Rb1Bi	9.3 (5)
Rb1Bii—Rb1B—O2ii	52.10 (7)	Rb1Bii—O3—Rb1Bi	10.1 (5)
O2v—Rb1B—O2ii	160.5 (4)	Rb1A—O3—Rb1Bi	4.9 (2)
O2i—Rb1B—O2ii	112.87 (12)	As2iv—O4—Ga1xx	126.28 (6)
O3iv—Rb1B—O2ii	106.2 (3)	As2iv—O4—Rb1Bxxi	120.71 (10)
O3—Rb1B—O2ii	107.8 (3)	Ga1xx—O4—Rb1Bxxi	99.25 (5)
O3v—Rb1B—O2ii	118.1 (4)	As2iv—O4—Rb1Axix	121.85 (5)
O3i—Rb1B—O2ii	72.8 (2)	Ga1xx—O4—Rb1Axix	99.67 (4)
O2—Rb1B—O2ii	106.5 (4)	Rb1Bxxi—O4—Rb1Axix	2.51 (13)
O2iv—Rb1B—O2ii	72.5 (2)	As2iv—O4—Rb1Bxix	126.9 (3)
O3iii—Rb1B—O2ii	57.9 (3)	Ga1xx—O4—Rb1Bxix	96.29 (16)
O3ii—Rb1B—O2ii	41.55 (19)	Rb1Bxxi—O4—Rb1Bxix	7.1 (3)
Rb1Bi—Rb1B—O2iii	52.10 (12)	Rb1Axix—O4—Rb1Bxix	5.2 (2)
Rb1Bii—Rb1B—O2iii	15.05 (5)	As2iv—O4—Rb1Bxxii	117.91 (18)
O2v—Rb1B—O2iii	112.87 (12)	Ga1xx—O4—Rb1Bxxii	103.25 (18)
O2i—Rb1B—O2iii	160.5 (4)	Rb1Bxxi—O4—Rb1Bxxii	4.1 (2)
O3iv—Rb1B—O2iii	107.8 (3)	Rb1Axix—O4—Rb1Bxxii	3.99 (18)
O3—Rb1B—O2iii	106.2 (3)	Rb1Bxix—O4—Rb1Bxxii	9.0 (4)
O3v—Rb1B—O2iii	72.8 (2)	As2iv—O4—Rb1B	53.63 (19)
O3i—Rb1B—O2iii	118.1 (4)	Ga1xx—O4—Rb1B	72.96 (19)
O2—Rb1B—O2iii	72.5 (2)	Rb1Bxxi—O4—Rb1B	134.20 (8)
O2iv—Rb1B—O2iii	106.5 (4)	Rb1Axix—O4—Rb1B	136.70 (6)
O3iii—Rb1B—O2iii	41.55 (19)	Rb1Bxix—O4—Rb1B	139.53 (16)
O3ii—Rb1B—O2iii	57.9 (3)	Rb1Bxxii—O4—Rb1B	135.79 (4)
O2ii—Rb1B—O2iii	48.4 (2)	As2iv—O4—Rb1Bi	47.20 (15)
Rb1Bi—Rb1B—O4vi	153.31 (5)	Ga1xx—O4—Rb1Bi	80.09 (19)
Rb1Bii—Rb1B—O4vi	130.76 (15)	Rb1Bxxi—O4—Rb1Bi	130.0 (3)
O2v—Rb1B—O4vi	45.1 (2)	Rb1Axix—O4—Rb1Bi	132.53 (17)
O2i—Rb1B—O4vi	53.4 (3)	Rb1Bxix—O4—Rb1Bi	136.12 (3)
O3iv—Rb1B—O4vi	98.0 (5)	Rb1Bxxii—O4—Rb1Bi	131.0 (3)
O3—Rb1B—O4vi	44.50 (19)	Rb1B—O4—Rb1Bi	8.2 (4)
O3v—Rb1B—O4vi	93.3 (3)	As2iv—O4—Rb1A	50.21 (3)
O3i—Rb1B—O4vi	76.7 (3)	Ga1xx—O4—Rb1A	76.56 (3)
O2—Rb1B—O4vi	71.6 (2)	Rb1Bxxi—O4—Rb1A	133.03 (14)
O2iv—Rb1B—O4vi	109.4 (4)	Rb1Axix—O4—Rb1A	135.53 (3)
O3iii—Rb1B—O4vi	157.2 (3)	Rb1Bxix—O4—Rb1A	138.77 (15)
O3ii—Rb1B—O4vi	109.34 (9)	Rb1Bxxii—O4—Rb1A	134.28 (7)
O2ii—Rb1B—O4vi	144.95 (3)	Rb1B—O4—Rb1A	3.8 (2)
O2iii—Rb1B—O4vi	144.11 (3)	Rb1Bi—O4—Rb1A	4.5 (2)
Rb1Bi—Rb1B—O4vii	130.76 (11)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H···O4vi	0.80 (3)	1.98 (3)	2.7314 (17)	158 (3)

RbGa(HAsO4)2	Dx = 3.964 Mg m−3
Mr = 435.05	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3c:H	Cell parameters from 2663 reflections
a = 8.385 (1) Å	θ = 2.3–30.0°
c = 53.880 (11) Å	µ = 19.42 mm−1
V = 3280.7 (10) Å3	T = 293 K
Z = 18	Hexagonal plate, colourless
F(000) = 3600	0.07 × 0.07 × 0.02 mm

Nonius KappaCCD single-crystal four-circle diffractometer	1027 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.016
φ and ω scans	θmax = 30.0°, θmin = 2.3°
Absorption correction: multi-scan (SCALEPACK; Otwinowski et al., 2003)	h = −11→11
Tmin = 0.343, Tmax = 0.697	k = −9→9
3896 measured reflections	l = −75→75
1079 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)] = 0.016	All H-atom parameters refined
wR(F2) = 0.040	w = 1/[σ2(Fo2) + (0.0168P)2 + 20.8962P] where P = (Fo2 + 2Fc2)/3
S = 1.11	(Δ/σ)max = 0.014
1079 reflections	Δρmax = 0.79 e Å−3
68 parameters	Δρmin = −0.52 e Å−3
2 restraints	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.000092 (13)

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)
Rb1A	0.000000	0.000000	0.750000	0.0297 (12)	0.909 (3)
Rb1B	0.000000	−0.050 (5)	0.750000	0.011 (3)	0.0304 (9)
Rb2	0.000000	0.000000	0.66714 (2)	0.02912 (12)
Ga1	0.333333	0.666667	0.75374 (2)	0.00733 (9)
Ga2	0.333333	0.666667	0.666667	0.00817 (11)
As	−0.43059 (3)	−0.39514 (3)	0.71280 (2)	0.00799 (7)
O1	0.4536 (2)	−0.4402 (2)	0.68636 (3)	0.0159 (3)
O2	−0.4459 (2)	−0.2541 (2)	0.73338 (3)	0.0106 (3)
O3	−0.1974 (2)	−0.2813 (2)	0.70523 (3)	0.0178 (3)
O4	0.4789 (2)	−0.1223 (2)	0.77582 (3)	0.0103 (3)
H	−0.161 (5)	−0.354 (5)	0.7099 (6)	0.035 (10)*

	U11	U22	U33	U12	U13	U23
Rb1A	0.0333 (16)	0.0333 (16)	0.0225 (9)	0.0166 (8)	0.000	0.000
Rb1B	0.023 (11)	0.012 (7)	0.004 (7)	0.011 (5)	−0.002 (4)	−0.001 (2)
Rb2	0.03481 (17)	0.03481 (17)	0.0177 (2)	0.01740 (9)	0.000	0.000
Ga1	0.00785 (12)	0.00785 (12)	0.00629 (16)	0.00393 (6)	0.000	0.000
Ga2	0.00943 (15)	0.00943 (15)	0.0057 (2)	0.00472 (8)	0.000	0.000
As	0.00991 (11)	0.00839 (10)	0.00729 (10)	0.00580 (8)	0.00068 (7)	0.00083 (7)
O1	0.0246 (8)	0.0212 (8)	0.0087 (6)	0.0164 (7)	−0.0050 (6)	−0.0011 (6)
O2	0.0105 (7)	0.0106 (6)	0.0104 (6)	0.0049 (5)	0.0026 (5)	−0.0016 (5)
O3	0.0129 (7)	0.0173 (8)	0.0257 (9)	0.0093 (7)	0.0085 (6)	0.0093 (6)
O4	0.0116 (6)	0.0092 (6)	0.0120 (6)	0.0066 (6)	−0.0019 (5)	−0.0038 (5)

Rb1A—Rb1Bi	0.42 (4)	Rb2—O3ii	2.9347 (17)
Rb1A—Rb1Bii	0.42 (4)	Rb2—O1vi	3.3714 (16)
Rb1A—O3iii	3.197 (2)	Rb2—O1vii	3.3715 (16)
Rb1A—O3iv	3.197 (2)	Rb2—O1viii	3.3715 (17)
Rb1A—O3ii	3.197 (2)	Rb2—O4ix	3.4960 (16)
Rb1A—O3i	3.197 (2)	Rb2—O4x	3.4960 (17)
Rb1A—O3v	3.197 (2)	Rb2—O4xi	3.4960 (16)
Rb1A—O3	3.197 (2)	Rb2—O3xii	3.5327 (19)
Rb1A—O2iv	3.3698 (16)	Rb2—O3xiii	3.533 (2)
Rb1A—O2ii	3.3698 (16)	Rb2—O3xiv	3.5328 (19)
Rb1A—O2v	3.3699 (16)	Rb2—Asxiv	3.7432 (5)
Rb1A—O2	3.3699 (16)	Rb2—Asxii	3.7432 (5)
Rb1A—O2iii	3.3699 (15)	Rb2—Asxiii	3.7432 (5)
Rb1A—O2i	3.3699 (15)	Ga1—O2xv	1.9596 (14)
Rb1A—Asiv	4.0083 (5)	Ga1—O2ii	1.9597 (15)
Rb1B—Rb1Bi	0.72 (7)	Ga1—O2xvi	1.9597 (15)
Rb1B—Rb1Bii	0.72 (7)	Ga1—O4xvii	1.9690 (15)
Rb1B—O3iv	3.019 (15)	Ga1—O4i	1.9690 (15)
Rb1B—O3	3.019 (15)	Ga1—O4xviii	1.9690 (15)
Rb1B—O2v	3.05 (3)	Ga2—O1viii	1.9625 (15)
Rb1B—O2i	3.05 (3)	Ga2—O1xiv	1.9625 (16)
Rb1B—O3i	3.161 (2)	Ga2—O1xix	1.9625 (15)
Rb1B—O3v	3.161 (2)	Ga2—O1i	1.9626 (15)
Rb1B—O2iv	3.363 (2)	Ga2—O1xviii	1.9626 (16)
Rb1B—O2	3.363 (2)	Ga2—O1xvii	1.9626 (15)
Rb1B—O3iii	3.47 (3)	As—O1xx	1.6576 (15)
Rb1B—O3ii	3.47 (3)	As—O2	1.6724 (15)
Rb2—O3	2.9346 (17)	As—O4iv	1.6805 (15)
Rb2—O3i	2.9347 (17)	As—O3	1.7417 (17)
Rb1Bi—Rb1A—Rb1Bii	120.00 (15)	O1vi—Rb2—Asxii	26.29 (3)
Rb1Bi—Rb1A—O3iii	61.38 (3)	O1vii—Rb2—Asxii	88.53 (3)
Rb1Bii—Rb1A—O3iii	81.43 (11)	O1viii—Rb2—Asxii	105.88 (3)
Rb1Bi—Rb1A—O3iv	81.43 (3)	O4ix—Rb2—Asxii	26.56 (2)
Rb1Bii—Rb1A—O3iv	128.90 (5)	O4x—Rb2—Asxii	54.15 (3)
O3iii—Rb1A—O3iv	69.26 (5)	O4xi—Rb2—Asxii	71.43 (3)
Rb1Bi—Rb1A—O3ii	81.43 (3)	O3xii—Rb2—Asxii	27.50 (3)
Rb1Bii—Rb1A—O3ii	61.38 (9)	O3xiii—Rb2—Asxii	63.12 (3)
O3iii—Rb1A—O3ii	102.21 (6)	O3xiv—Rb2—Asxii	98.11 (3)
O3iv—Rb1A—O3ii	162.87 (7)	Asxiv—Rb2—Asxii	79.914 (13)
Rb1Bi—Rb1A—O3i	61.38 (3)	O3—Rb2—Asxiii	177.27 (4)
Rb1Bii—Rb1A—O3i	128.90 (5)	O3i—Rb2—Asxiii	100.79 (4)
O3iii—Rb1A—O3i	122.76 (7)	O3ii—Rb2—Asxiii	102.80 (4)
O3iv—Rb1A—O3i	102.21 (6)	O1vi—Rb2—Asxiii	88.53 (3)
O3ii—Rb1A—O3i	69.26 (5)	O1vii—Rb2—Asxiii	105.88 (3)
Rb1Bi—Rb1A—O3v	128.90 (3)	O1viii—Rb2—Asxiii	26.29 (3)
Rb1Bii—Rb1A—O3v	61.38 (9)	O4ix—Rb2—Asxiii	54.15 (3)
O3iii—Rb1A—O3v	69.26 (5)	O4x—Rb2—Asxiii	71.43 (3)
O3iv—Rb1A—O3v	69.26 (5)	O4xi—Rb2—Asxiii	26.56 (3)
O3ii—Rb1A—O3v	122.76 (6)	O3xii—Rb2—Asxiii	98.11 (3)
O3i—Rb1A—O3v	162.87 (6)	O3xiii—Rb2—Asxiii	27.50 (3)
Rb1Bi—Rb1A—O3	128.90 (3)	O3xiv—Rb2—Asxiii	63.12 (3)
Rb1Bii—Rb1A—O3	81.43 (11)	Asxiv—Rb2—Asxiii	79.914 (13)
O3iii—Rb1A—O3	162.87 (6)	Asxii—Rb2—Asxiii	79.914 (13)
O3iv—Rb1A—O3	122.76 (6)	O2xv—Ga1—O2ii	91.72 (6)
O3ii—Rb1A—O3	69.26 (5)	O2xv—Ga1—O2xvi	91.72 (6)
O3i—Rb1A—O3	69.26 (5)	O2ii—Ga1—O2xvi	91.72 (6)
O3v—Rb1A—O3	102.21 (6)	O2xv—Ga1—O4xvii	92.25 (6)
Rb1Bi—Rb1A—O2iv	37.49 (3)	O2ii—Ga1—O4xvii	175.98 (6)
Rb1Bii—Rb1A—O2iv	150.57 (13)	O2xvi—Ga1—O4xvii	88.72 (6)
O3iii—Rb1A—O2iv	70.43 (4)	O2xv—Ga1—O4i	88.72 (6)
O3iv—Rb1A—O2iv	48.04 (4)	O2ii—Ga1—O4i	92.25 (6)
O3ii—Rb1A—O2iv	115.61 (4)	O2xvi—Ga1—O4i	175.98 (7)
O3i—Rb1A—O2iv	64.84 (4)	O4xvii—Ga1—O4i	87.28 (6)
O3v—Rb1A—O2iv	113.71 (4)	O2xv—Ga1—O4xviii	175.98 (6)
O3—Rb1A—O2iv	126.47 (4)	O2ii—Ga1—O4xviii	88.71 (6)
Rb1Bi—Rb1A—O2ii	37.49 (3)	O2xvi—Ga1—O4xviii	92.25 (6)
Rb1Bii—Rb1A—O2ii	85.56 (15)	O4xvii—Ga1—O4xviii	87.28 (7)
O3iii—Rb1A—O2ii	64.84 (4)	O4i—Ga1—O4xviii	87.28 (7)
O3iv—Rb1A—O2ii	115.61 (4)	O2xv—Ga1—Rb2xxi	124.04 (4)
O3ii—Rb1A—O2ii	48.04 (4)	O2ii—Ga1—Rb2xxi	124.04 (4)
O3i—Rb1A—O2ii	70.43 (4)	O2xvi—Ga1—Rb2xxi	124.04 (4)
O3v—Rb1A—O2ii	126.47 (4)	O4xvii—Ga1—Rb2xxi	52.83 (5)
O3—Rb1A—O2ii	113.71 (4)	O4i—Ga1—Rb2xxi	52.83 (5)
O2iv—Rb1A—O2ii	74.98 (5)	O4xviii—Ga1—Rb2xxi	52.83 (4)
Rb1Bi—Rb1A—O2v	150.57 (3)	O2xv—Ga1—Rb1Axvii	32.81 (4)
Rb1Bii—Rb1A—O2v	85.56 (15)	O2ii—Ga1—Rb1Axvii	105.67 (4)
O3iii—Rb1A—O2v	113.71 (4)	O2xvi—Ga1—Rb1Axvii	120.04 (5)
O3iv—Rb1A—O2v	70.43 (4)	O4xvii—Ga1—Rb1Axvii	77.51 (4)
O3ii—Rb1A—O2v	126.47 (4)	O4i—Ga1—Rb1Axvii	59.26 (4)
O3i—Rb1A—O2v	115.61 (4)	O4xviii—Ga1—Rb1Axvii	143.41 (5)
O3v—Rb1A—O2v	48.04 (4)	Rb2xxi—Ga1—Rb1Axvii	92.384 (4)
O3—Rb1A—O2v	64.84 (4)	O2xv—Ga1—Rb1A	120.04 (5)
O2iv—Rb1A—O2v	113.21 (2)	O2ii—Ga1—Rb1A	32.81 (4)
O2ii—Rb1A—O2v	171.11 (5)	O2xvi—Ga1—Rb1A	105.67 (4)
Rb1Bi—Rb1A—O2	150.57 (3)	O4xvii—Ga1—Rb1A	143.41 (5)
Rb1Bii—Rb1A—O2	37.49 (14)	O4i—Ga1—Rb1A	77.51 (4)
O3iii—Rb1A—O2	115.61 (4)	O4xviii—Ga1—Rb1A	59.26 (5)
O3iv—Rb1A—O2	126.47 (4)	Rb2xxi—Ga1—Rb1A	92.384 (4)
O3ii—Rb1A—O2	70.43 (4)	Rb1Axvii—Ga1—Rb1A	119.828 (1)
O3i—Rb1A—O2	113.71 (4)	O2xv—Ga1—Rb1Axvi	105.67 (5)
O3v—Rb1A—O2	64.84 (4)	O2ii—Ga1—Rb1Axvi	120.04 (5)
O3—Rb1A—O2	48.04 (4)	O2xvi—Ga1—Rb1Axvi	32.81 (4)
O2iv—Rb1A—O2	171.11 (5)	O4xvii—Ga1—Rb1Axvi	59.26 (4)
O2ii—Rb1A—O2	113.21 (2)	O4i—Ga1—Rb1Axvi	143.41 (5)
O2v—Rb1A—O2	58.86 (5)	O4xviii—Ga1—Rb1Axvi	77.51 (5)
Rb1Bi—Rb1A—O2iii	85.56 (3)	Rb2xxi—Ga1—Rb1Axvi	92.384 (4)
Rb1Bii—Rb1A—O2iii	37.49 (14)	Rb1Axvii—Ga1—Rb1Axvi	119.828 (1)
O3iii—Rb1A—O2iii	48.04 (4)	Rb1A—Ga1—Rb1Axvi	119.828 (1)
O3iv—Rb1A—O2iii	113.71 (4)	O1viii—Ga2—O1xiv	93.53 (6)
O3ii—Rb1A—O2iii	64.84 (4)	O1viii—Ga2—O1xix	93.53 (6)
O3i—Rb1A—O2iii	126.47 (4)	O1xiv—Ga2—O1xix	93.53 (6)
O3v—Rb1A—O2iii	70.43 (4)	O1viii—Ga2—O1i	180.0
O3—Rb1A—O2iii	115.61 (4)	O1xiv—Ga2—O1i	86.48 (6)
O2iv—Rb1A—O2iii	113.21 (2)	O1xix—Ga2—O1i	86.48 (6)
O2ii—Rb1A—O2iii	58.87 (5)	O1viii—Ga2—O1xviii	86.48 (6)
O2v—Rb1A—O2iii	113.21 (2)	O1xiv—Ga2—O1xviii	180.0
O2—Rb1A—O2iii	74.98 (5)	O1xix—Ga2—O1xviii	86.48 (6)
Rb1Bi—Rb1A—O2i	85.56 (3)	O1i—Ga2—O1xviii	93.52 (6)
Rb1Bii—Rb1A—O2i	150.57 (14)	O1viii—Ga2—O1xvii	86.48 (6)
O3iii—Rb1A—O2i	126.47 (4)	O1xiv—Ga2—O1xvii	86.48 (6)
O3iv—Rb1A—O2i	64.84 (4)	O1xix—Ga2—O1xvii	180.0
O3ii—Rb1A—O2i	113.71 (4)	O1i—Ga2—O1xvii	93.52 (6)
O3i—Rb1A—O2i	48.04 (4)	O1xviii—Ga2—O1xvii	93.52 (6)
O3v—Rb1A—O2i	115.61 (4)	O1viii—Ga2—Rb2xix	63.39 (5)
O3—Rb1A—O2i	70.43 (4)	O1xiv—Ga2—Rb2xix	66.53 (5)
O2iv—Rb1A—O2i	58.87 (5)	O1xix—Ga2—Rb2xix	146.92 (4)
O2ii—Rb1A—O2i	113.21 (2)	O1i—Ga2—Rb2xix	116.61 (5)
O2v—Rb1A—O2i	74.98 (5)	O1xviii—Ga2—Rb2xix	113.47 (5)
O2—Rb1A—O2i	113.21 (2)	O1xvii—Ga2—Rb2xix	33.08 (4)
O2iii—Rb1A—O2i	171.11 (6)	O1viii—Ga2—Rb2xvii	116.62 (5)
Rb1Bi—Rb1A—Asiv	60.827 (6)	O1xiv—Ga2—Rb2xvii	113.48 (5)
Rb1Bii—Rb1A—Asiv	149.73 (2)	O1xix—Ga2—Rb2xvii	33.08 (4)
O3iii—Rb1A—Asiv	73.16 (3)	O1i—Ga2—Rb2xvii	63.38 (5)
O3iv—Rb1A—Asiv	24.86 (3)	O1xviii—Ga2—Rb2xvii	66.52 (5)
O3ii—Rb1A—Asiv	139.65 (3)	O1xvii—Ga2—Rb2xvii	146.92 (4)
O3i—Rb1A—Asiv	79.79 (3)	Rb2xix—Ga2—Rb2xvii	180.0
O3v—Rb1A—Asiv	93.74 (3)	O1viii—Ga2—Rb2xvi	113.48 (5)
O3—Rb1A—Asiv	123.16 (3)	O1xiv—Ga2—Rb2xvi	33.08 (4)
O2iv—Rb1A—Asiv	24.28 (2)	O1xix—Ga2—Rb2xvi	116.62 (6)
O2ii—Rb1A—Asiv	97.93 (3)	O1i—Ga2—Rb2xvi	66.52 (5)
O2v—Rb1A—Asiv	89.76 (3)	O1xviii—Ga2—Rb2xvi	146.92 (4)
O2—Rb1A—Asiv	148.57 (3)	O1xvii—Ga2—Rb2xvi	63.38 (6)
O2iii—Rb1A—Asiv	121.15 (3)	Rb2xix—Ga2—Rb2xvi	60.0
O2i—Rb1A—Asiv	53.64 (3)	Rb2xvii—Ga2—Rb2xvi	120.0
Rb1Bi—Rb1B—Rb1Bii	60.00 (4)	O1viii—Ga2—Rb2	33.08 (5)
Rb1Bi—Rb1B—O3iv	94.7 (6)	O1xiv—Ga2—Rb2	116.62 (5)
Rb1Bii—Rb1B—O3iv	123.8 (6)	O1xix—Ga2—Rb2	113.48 (5)
Rb1Bi—Rb1B—O3	123.8 (6)	O1i—Ga2—Rb2	146.92 (5)
Rb1Bii—Rb1B—O3	94.7 (7)	O1xviii—Ga2—Rb2	63.38 (5)
O3iv—Rb1B—O3	136.7 (14)	O1xvii—Ga2—Rb2	66.52 (5)
Rb1Bi—Rb1B—O2v	160.6 (4)	Rb2xix—Ga2—Rb2	60.0
Rb1Bii—Rb1B—O2v	109.8 (6)	Rb2xvii—Ga2—Rb2	120.0
O3iv—Rb1B—O2v	77.3 (7)	Rb2xvi—Ga2—Rb2	120.0
O3—Rb1B—O2v	71.0 (6)	O1viii—Ga2—Rb2xxii	66.52 (5)
Rb1Bi—Rb1B—O2i	109.8 (5)	O1xiv—Ga2—Rb2xxii	146.92 (4)
Rb1Bii—Rb1B—O2i	160.6 (3)	O1xix—Ga2—Rb2xxii	63.38 (6)
O3iv—Rb1B—O2i	71.0 (6)	O1i—Ga2—Rb2xxii	113.47 (5)
O3—Rb1B—O2i	77.3 (7)	O1xviii—Ga2—Rb2xxii	33.08 (4)
O2v—Rb1B—O2i	84.6 (10)	O1xvii—Ga2—Rb2xxii	116.62 (6)
Rb1Bi—Rb1B—O3i	72.1 (6)	Rb2xix—Ga2—Rb2xxii	120.0
Rb1Bii—Rb1B—O3i	109.8 (6)	Rb2xvii—Ga2—Rb2xxii	60.0
O3iv—Rb1B—O3i	107.2 (4)	Rb2xvi—Ga2—Rb2xxii	180.0
O3—Rb1B—O3i	72.0 (2)	Rb2—Ga2—Rb2xxii	60.0
O2v—Rb1B—O3i	127.0 (11)	O1viii—Ga2—Rb2xxiii	146.92 (5)
O2i—Rb1B—O3i	51.0 (2)	O1xiv—Ga2—Rb2xxiii	63.38 (5)
Rb1Bi—Rb1B—O3v	109.8 (7)	O1xix—Ga2—Rb2xxiii	66.52 (5)
Rb1Bii—Rb1B—O3v	72.1 (7)	O1i—Ga2—Rb2xxiii	33.08 (5)
O3iv—Rb1B—O3v	72.0 (2)	O1xviii—Ga2—Rb2xxiii	116.61 (5)
O3—Rb1B—O3v	107.2 (4)	O1xvii—Ga2—Rb2xxiii	113.47 (5)
O2v—Rb1B—O3v	51.0 (2)	Rb2xix—Ga2—Rb2xxiii	120.0
O2i—Rb1B—O3v	127.0 (11)	Rb2xvii—Ga2—Rb2xxiii	60.0
O3i—Rb1B—O3v	177.9 (14)	Rb2xvi—Ga2—Rb2xxiii	60.0
Rb1Bi—Rb1B—O2iv	58.5 (7)	Rb2—Ga2—Rb2xxiii	180.0
Rb1Bii—Rb1B—O2iv	116.2 (6)	Rb2xxii—Ga2—Rb2xxiii	119.997 (1)
O3iv—Rb1B—O2iv	49.25 (8)	O1xx—As—O2	119.20 (8)
O3—Rb1B—O2iv	133.4 (5)	O1xx—As—O4iv	105.45 (8)
O2v—Rb1B—O2iv	122.6 (9)	O2—As—O4iv	114.88 (7)
O2i—Rb1B—O2iv	62.0 (3)	O1xx—As—O3	107.00 (9)
O3i—Rb1B—O2iv	65.28 (4)	O2—As—O3	103.30 (8)
O3v—Rb1B—O2iv	114.83 (5)	O4iv—As—O3	106.04 (8)
Rb1Bi—Rb1B—O2	116.2 (7)	O1xx—As—Rb2xii	64.25 (6)
Rb1Bii—Rb1B—O2	58.5 (8)	O2—As—Rb2xii	172.80 (5)
O3iv—Rb1B—O2	133.4 (5)	O4iv—As—Rb2xii	68.49 (5)
O3—Rb1B—O2	49.25 (8)	O3—As—Rb2xii	69.51 (6)
O2v—Rb1B—O2	62.0 (3)	O1xx—As—Rb1Bii	142.0 (2)
O2i—Rb1B—O2	122.6 (9)	O2—As—Rb1Bii	50.6 (6)
O3i—Rb1B—O2	114.83 (5)	O4iv—As—Rb1Bii	111.5 (3)
O3v—Rb1B—O2	65.28 (4)	O3—As—Rb1Bii	54.9 (5)
O2iv—Rb1B—O2	174.7 (13)	Rb2xii—As—Rb1Bii	122.5 (5)
Rb1Bi—Rb1B—O3iii	46.2 (3)	O1xx—As—Rb1B	146.8 (4)
Rb1Bii—Rb1B—O3iii	58.9 (3)	O2—As—Rb1B	60.0 (4)
O3iv—Rb1B—O3iii	67.6 (2)	O4iv—As—Rb1B	103.6 (5)
O3—Rb1B—O3iii	153.6 (10)	O3—As—Rb1B	48.68 (19)
O2v—Rb1B—O3iii	114.75 (4)	Rb2xii—As—Rb1B	113.4 (4)
O2i—Rb1B—O3iii	127.90 (5)	Rb1Bii—As—Rb1B	10.8 (11)
O3i—Rb1B—O3iii	115.4 (7)	O1xx—As—Rb1A	143.22 (6)
O3v—Rb1B—O3iii	66.2 (3)	O2—As—Rb1A	55.94 (5)
O2iv—Rb1B—O3iii	67.3 (3)	O4iv—As—Rb1A	108.77 (5)
O2—Rb1B—O3iii	108.7 (7)	O3—As—Rb1A	50.50 (6)
Rb1Bi—Rb1B—O3ii	58.9 (4)	Rb2xii—As—Rb1A	117.262 (8)
Rb1Bii—Rb1B—O3ii	46.2 (3)	Rb1Bii—As—Rb1A	5.5 (5)
O3iv—Rb1B—O3ii	153.6 (10)	Rb1B—As—Rb1A	5.7 (6)
O3—Rb1B—O3ii	67.6 (2)	O1xx—As—Rb2	81.53 (7)
O2v—Rb1B—O3ii	127.90 (5)	O2—As—Rb2	99.68 (5)
O2i—Rb1B—O3ii	114.75 (4)	O4iv—As—Rb2	133.31 (5)
O3i—Rb1B—O3ii	66.2 (3)	O3—As—Rb2	32.31 (6)
O3v—Rb1B—O3ii	115.4 (7)	Rb2xii—As—Rb2	74.193 (8)
O2iv—Rb1B—O3ii	108.7 (7)	Rb1Bii—As—Rb2	67.2 (2)
O2—Rb1B—O3ii	67.3 (3)	Rb1B—As—Rb2	66.79 (16)
O3iii—Rb1B—O3ii	91.5 (9)	Rb1A—As—Rb2	65.327 (14)
O3—Rb2—O3i	76.48 (6)	O1xx—As—Rb1Axxiv	87.84 (7)
O3—Rb2—O3ii	76.48 (6)	O2—As—Rb1Axxiv	94.28 (5)
O3i—Rb2—O3ii	76.48 (6)	O4iv—As—Rb1Axxiv	40.78 (5)
O3—Rb2—O1vi	91.00 (4)	O3—As—Rb1Axxiv	146.81 (6)
O3i—Rb2—O1vi	76.80 (4)	Rb2xii—As—Rb1Axxiv	92.146 (8)
O3ii—Rb2—O1vi	152.49 (5)	Rb1Bii—As—Rb1Axxiv	126.24 (14)
O3—Rb2—O1vii	76.80 (5)	Rb1B—As—Rb1Axxiv	125.1 (3)
O3i—Rb2—O1vii	152.49 (5)	Rb1A—As—Rb1Axxiv	127.415 (12)
O3ii—Rb2—O1vii	91.00 (4)	Rb2—As—Rb1Axxiv	165.357 (7)
O1vi—Rb2—O1vii	110.14 (3)	O1xx—As—Rb2xxiv	42.87 (6)
O3—Rb2—O1viii	152.49 (5)	O2—As—Rb2xxiv	127.54 (5)
O3i—Rb2—O1viii	91.00 (5)	O4iv—As—Rb2xxiv	64.16 (5)
O3ii—Rb2—O1viii	76.80 (5)	O3—As—Rb2xxiv	128.20 (6)
O1vi—Rb2—O1viii	110.14 (3)	Rb2xii—As—Rb2xxiv	59.507 (5)
O1vii—Rb2—O1viii	110.13 (2)	Rb1Bii—As—Rb2xxiv	174.80 (5)
O3—Rb2—O4ix	126.84 (4)	Rb1B—As—Rb2xxiv	167.1 (6)
O3i—Rb2—O4ix	111.15 (5)	Rb1A—As—Rb2xxiv	172.736 (5)
O3ii—Rb2—O4ix	156.15 (4)	Rb2—As—Rb2xxiv	117.769 (15)
O1vi—Rb2—O4ix	45.47 (4)	Rb1Axxiv—As—Rb2xxiv	48.647 (11)
O1vii—Rb2—O4ix	90.21 (4)	Asxxv—O1—Ga2xxvi	137.45 (10)
O1viii—Rb2—O4ix	80.43 (4)	Asxxv—O1—Rb2vi	89.47 (6)
O3—Rb2—O4x	111.15 (5)	Ga2xxvi—O1—Rb2vi	128.38 (6)
O3i—Rb2—O4x	156.15 (4)	Asxxv—O1—Rb2xxv	76.24 (6)
O3ii—Rb2—O4x	126.84 (4)	Ga2xxvi—O1—Rb2xxv	92.73 (6)
O1vi—Rb2—O4x	80.43 (4)	Rb2vi—O1—Rb2xxv	76.74 (3)
O1vii—Rb2—O4x	45.46 (4)	Asxxv—O1—Rb2xxvi	122.41 (7)
O1viii—Rb2—O4x	90.21 (4)	Ga2xxvi—O1—Rb2xxvi	89.56 (6)
O4ix—Rb2—O4x	45.74 (4)	Rb2vi—O1—Rb2xxvi	75.20 (3)
O3—Rb2—O4xi	156.15 (5)	Rb2xxv—O1—Rb2xxvi	145.76 (4)
O3i—Rb2—O4xi	126.84 (5)	As—O2—Ga1xxiv	121.66 (8)
O3ii—Rb2—O4xi	111.15 (5)	As—O2—Rb1Bii	104.3 (5)
O1vi—Rb2—O4xi	90.21 (4)	Ga1xxiv—O2—Rb1Bii	125.9 (3)
O1vii—Rb2—O4xi	80.43 (4)	As—O2—Rb1B	94.4 (5)
O1viii—Rb2—O4xi	45.46 (4)	Ga1xxiv—O2—Rb1B	130.14 (12)
O4ix—Rb2—O4xi	45.74 (4)	Rb1Bii—O2—Rb1B	11.7 (11)
O4x—Rb2—O4xi	45.74 (4)	As—O2—Rb1A	99.78 (6)
O3—Rb2—O3xii	83.50 (5)	Ga1xxiv—O2—Rb1A	128.83 (6)
O3i—Rb2—O3xii	119.25 (6)	Rb1Bii—O2—Rb1A	4.8 (5)
O3ii—Rb2—O3xii	150.88 (6)	Rb1B—O2—Rb1A	7.1 (7)
O1vi—Rb2—O3xii	46.57 (4)	As—O2—Rb2	60.35 (4)
O1vii—Rb2—O3xii	63.66 (4)	Ga1xxiv—O2—Rb2	162.84 (6)
O1viii—Rb2—O3xii	123.76 (4)	Rb1Bii—O2—Rb2	64.9 (2)
O4ix—Rb2—O3xii	45.78 (4)	Rb1B—O2—Rb2	63.47 (7)
O4x—Rb2—O3xii	43.39 (4)	Rb1A—O2—Rb2	63.10 (2)
O4xi—Rb2—O3xii	80.11 (4)	As—O3—Rb2	129.19 (8)
O3—Rb2—O3xiii	150.89 (6)	As—O3—Rb1B	105.64 (12)
O3i—Rb2—O3xiii	83.50 (5)	Rb2—O3—Rb1B	97.7 (5)
O3ii—Rb2—O3xiii	119.25 (6)	As—O3—Rb1Bii	98.2 (6)
O1vi—Rb2—O3xiii	63.66 (4)	Rb2—O3—Rb1Bii	94.64 (16)
O1vii—Rb2—O3xiii	123.75 (4)	Rb1B—O3—Rb1Bii	13.2 (13)
O1viii—Rb2—O3xiii	46.57 (4)	As—O3—Rb1A	104.65 (8)
O4ix—Rb2—O3xiii	43.39 (4)	Rb2—O3—Rb1A	93.37 (5)
O4x—Rb2—O3xiii	80.11 (4)	Rb1B—O3—Rb1A	7.0 (7)
O4xi—Rb2—O3xiii	45.78 (4)	Rb1Bii—O3—Rb1A	7.5 (7)
O3xii—Rb2—O3xiii	88.19 (4)	As—O3—Rb1Bi	109.5 (4)
O3—Rb2—O3xiv	119.25 (6)	Rb2—O3—Rb1Bi	88.4 (5)
O3i—Rb2—O3xiv	150.88 (6)	Rb1B—O3—Rb1Bi	10.0 (9)
O3ii—Rb2—O3xiv	83.50 (5)	Rb1Bii—O3—Rb1Bi	11.3 (10)
O1vi—Rb2—O3xiv	123.76 (4)	Rb1A—O3—Rb1Bi	5.4 (5)
O1vii—Rb2—O3xiv	46.57 (4)	As—O3—Rb2xii	82.99 (7)
O1viii—Rb2—O3xiv	63.66 (4)	Rb2—O3—Rb2xii	96.50 (5)
O4ix—Rb2—O3xiv	80.11 (4)	Rb1B—O3—Rb2xii	152.4 (7)
O4x—Rb2—O3xiv	45.78 (4)	Rb1Bii—O3—Rb2xii	164.5 (4)
O4xi—Rb2—O3xiv	43.38 (4)	Rb1A—O3—Rb2xii	159.28 (6)
O3xii—Rb2—O3xiv	88.19 (4)	Rb1Bi—O3—Rb2xii	159.23 (8)
O3xiii—Rb2—O3xiv	88.19 (4)	Asiv—O4—Ga1xxvi	130.00 (8)
O3—Rb2—Asxiv	102.80 (4)	Asiv—O4—Rb2xxvii	84.95 (5)
O3i—Rb2—Asxiv	177.27 (4)	Ga1xxvi—O4—Rb2xxvii	100.50 (6)
O3ii—Rb2—Asxiv	100.79 (4)	Asiv—O4—Rb1Axxv	124.06 (6)
O1vi—Rb2—Asxiv	105.88 (3)	Ga1xxvi—O4—Rb1Axxv	96.95 (5)
O1vii—Rb2—Asxiv	26.29 (3)	Rb2xxvii—O4—Rb1Axxv	118.51 (4)
O1viii—Rb2—Asxiv	88.53 (3)	Asiv—O4—Rb1A	51.95 (4)
O4ix—Rb2—Asxiv	71.43 (3)	Ga1xxvi—O4—Rb1A	78.99 (4)
O4x—Rb2—Asxiv	26.56 (2)	Rb2xxvii—O4—Rb1A	104.39 (3)
O4xi—Rb2—Asxiv	54.15 (3)	Rb1Axxv—O4—Rb1A	136.81 (4)
O3xii—Rb2—Asxiv	63.12 (3)	Asiv—O4—Rb2xxviii	98.27 (5)
O3xiii—Rb2—Asxiv	98.10 (3)	Ga1xxvi—O4—Rb2xxviii	129.76 (6)
O3xiv—Rb2—Asxiv	27.50 (3)	Rb2xxvii—O4—Rb2xxviii	66.64 (2)
O3—Rb2—Asxii	100.79 (4)	Rb1Axxv—O4—Rb2xxviii	57.20 (2)
O3i—Rb2—Asxii	102.80 (4)	Rb1A—O4—Rb2xxviii	150.18 (3)
O3ii—Rb2—Asxii	177.27 (4)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H···O4xxix	0.85 (3)	1.76 (3)	2.598 (2)	168 (4)