Nonapotassium trialuminium hexa-phosphate.

In the title compound, K(9)Al(3)(PO(4))(6), the anionic substructure is built of inter-linked [PO(4)] and [AlO(4)] tetra-hedra. Each O atom of the [AlO(4)] tetra-hedron is common to a positionally different [PO(4)] tetra-hedron; thus, each [AlO(4)] tetra-hedron is surrounded by four positionally different [PO(4)] tetra-hedra. On the other hand, each [PO(4)] tetra-hedron shares its two O atoms with two positionally different [AlO(4)] tetra-hedra; the other two phosphate O atoms are terminal ones coordinated by K atoms. The terminal O atoms are usually closer to the K atoms than the bridging O atoms between the [AlO(4)] and [PO(4)] tetra-hedra. There are nine symmetry-independent K atoms in the structure. The coordination numbers of the K atoms are 6 or 7 or 8 up to a distance of 3.31 Å. There are channels in the anionic substructure oriented along the [10] direction that are filled by K atoms.

Related literature

For applications of metal phosphates, see: Barone & Nancollas (1978 ▶); Dickinson et al. (1996 ▶). For non-centrosymmetric phosphates with non-linear optical properties, see: Noor & Dam (1986 ▶); Aguilo & Wuensdregt (1985 ▶); Masse & Grenier (1971 ▶). For the non-centrosymmetric structures of A 3Al2(PO4)3 (A = K, Rb and Tl), which have three-dimensional [Al2P3O12]3− frameworks, see: Nandini Devi & Vidyasagar (2000 ▶). For the structure of KAlP2O7, see: Ng & Calvo (1973 ▶);

Experimental

Crystal data

K9Al3(PO4)6

M = 1002.66

Monoclinic,

a = 20.289 (4) Å

b = 9.835 (2) Å

c = 13.521 (3) Å

β = 100.56 (3)°

V = 2652.2 (9) Å3

Z = 4

Mo Kα radiation

μ = 2.02 mm−1

T = 113 K

0.26 × 0.20 × 0.18 mm

Data collection

Bruker SMART 1000 diffractometer

Absorption correction: numerical (CrystalClear; Rigaku/MSC, 2005 ▶) T min = 0.622, T max = 0.713

35263 measured reflections

11751 independent reflections

10169 reflections with I > 2σ(I)

R int = 0.028

Refinement

R[F 2 > 2σ(F 2)] = 0.023

wR(F 2) = 0.059

S = 1.10

11751 reflections

380 parameters

Δρmax = 0.54 e Å−3

Δρmin = −0.52 e Å−3

Data collection: CrystalClear (Rigaku/MSC, 2005 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: Mercury (Macrae et al., 2006 ▶); software used to prepare material for publication: CrystalStructure (Rigaku/MSC, 2005 ▶).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S160053681001305X/fb2181sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053681001305X/fb2181Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

K9Al3(PO4)6	F(000) = 1968
Mr = 1002.66	Dx = 2.511 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 11243 reflections
a = 20.289 (4) Å	θ = 1.5–36.1°
b = 9.835 (2) Å	µ = 2.02 mm−1
c = 13.521 (3) Å	T = 113 K
β = 100.56 (3)°	Block, colorless
V = 2652.2 (9) Å3	0.26 × 0.20 × 0.18 mm
Z = 4

Bruker SMART 1000 diffractometer	11751 independent reflections
Radiation source: rotating anode	10169 reflections with I > 2σ(I)
confocal	Rint = 0.028
Detector resolution: 7.31 pixels mm-1	θmax = 36.4°, θmin = 2.0°
ω and φ scans	h = −32→32
Absorption correction: numerical (CrystalClear; Rigaku/MSC, 2005)	k = −15→14
Tmin = 0.622, Tmax = 0.713	l = −21→21
35263 measured reflections

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.023	w = 1/[σ2(Fo2) + (0.0289P)2 + 0.2004P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.059	(Δ/σ)max = 0.002
S = 1.10	Δρmax = 0.54 e Å−3
11751 reflections	Δρmin = −0.52 e Å−3
380 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraints	Extinction coefficient: 0.0094 (3)
0 constraints

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.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq
P1	0.298252 (13)	0.34947 (3)	0.33480 (2)	0.00581 (5)
P2	0.533853 (13)	0.58644 (3)	0.36009 (2)	0.00594 (5)
P3	0.187195 (13)	0.57954 (3)	0.69175 (2)	0.00569 (5)
P4	−0.043493 (13)	0.14690 (3)	0.10689 (2)	0.00566 (5)
P5	0.356473 (13)	0.65268 (3)	0.99111 (2)	0.00556 (5)
P6	0.134551 (13)	0.14154 (3)	0.50989 (2)	0.00546 (5)
Al1	0.089399 (16)	0.07540 (3)	0.02839 (2)	0.00532 (6)
Al2	0.248584 (16)	0.06371 (3)	0.38928 (2)	0.00494 (6)
Al3	0.404521 (16)	0.56335 (3)	0.44487 (2)	0.00506 (6)
O1	0.30136 (4)	0.20134 (8)	0.37989 (6)	0.01040 (14)
O2	0.30827 (5)	0.34641 (8)	0.22768 (6)	0.01385 (16)
O3	0.23519 (4)	0.41939 (8)	0.35084 (7)	0.01469 (16)
O4	0.36066 (5)	0.41798 (8)	0.40128 (7)	0.01553 (18)
O5	0.57090 (4)	0.71131 (8)	0.40329 (6)	0.01132 (15)
O6	0.54290 (4)	0.54825 (8)	0.25534 (6)	0.00961 (14)
O7	0.45662 (4)	0.60301 (9)	0.35924 (6)	0.01063 (14)
O8	0.55470 (4)	0.45990 (7)	0.43131 (6)	0.00885 (14)
O9	0.24384 (4)	0.56940 (8)	0.63432 (6)	0.01142 (15)
O10	0.11777 (4)	0.54245 (7)	0.62321 (6)	0.00823 (14)
O11	0.17814 (4)	0.71622 (8)	0.73771 (6)	0.01017 (14)
O12	0.19385 (4)	0.46544 (8)	0.77559 (6)	0.00888 (14)
O13	−0.09231 (4)	0.25724 (7)	0.06586 (6)	0.00840 (13)
O14	0.01158 (4)	0.14074 (7)	0.03954 (6)	0.00818 (14)
O15	−0.07987 (4)	0.00350 (7)	0.09080 (6)	0.00757 (13)
O16	−0.01117 (4)	0.16378 (8)	0.21565 (6)	0.01014 (14)
O17	0.34118 (4)	0.65873 (8)	1.09580 (6)	0.01213 (15)
O18	0.35063 (4)	0.79852 (7)	0.94185 (6)	0.00881 (14)
O19	0.42285 (4)	0.58847 (8)	0.98471 (7)	0.01214 (15)
O20	0.29847 (4)	0.57812 (8)	0.91867 (6)	0.01111 (15)
O21	0.20437 (4)	0.09364 (8)	0.48639 (6)	0.00835 (13)
O22	0.11949 (4)	0.05905 (7)	0.59700 (6)	0.00888 (14)
O23	0.14854 (4)	0.29353 (7)	0.54464 (6)	0.00891 (14)
O24	0.08212 (4)	0.14116 (8)	0.41564 (6)	0.01017 (14)
K1	0.287854 (12)	0.17131 (2)	0.079146 (18)	0.00949 (4)
K2	0.420108 (12)	0.44811 (2)	0.178588 (19)	0.01038 (4)
K3	0.233669 (12)	0.57239 (2)	0.160286 (19)	0.01005 (4)
K4	0.551481 (12)	0.66477 (2)	0.075535 (18)	0.00984 (4)
K5	0.370503 (13)	0.84243 (2)	0.243608 (19)	0.01203 (5)
K6	0.054431 (12)	0.67635 (2)	0.106782 (18)	0.00886 (4)
K7	0.213027 (11)	0.66267 (2)	0.427477 (18)	0.00950 (4)
K8	0.058558 (12)	0.93957 (2)	0.292875 (18)	0.01007 (4)
K9	0.116931 (12)	0.29859 (2)	0.266699 (19)	0.01164 (5)

	U11	U22	U33	U12	U13	U23
P1	0.00581 (11)	0.00550 (10)	0.00599 (12)	−0.00069 (8)	0.00070 (9)	−0.00048 (8)
P2	0.00578 (11)	0.00678 (10)	0.00535 (11)	0.00080 (8)	0.00123 (9)	0.00050 (8)
P3	0.00625 (11)	0.00554 (10)	0.00511 (11)	−0.00021 (8)	0.00058 (9)	0.00017 (8)
P4	0.00518 (11)	0.00625 (10)	0.00552 (11)	−0.00004 (8)	0.00088 (8)	−0.00072 (8)
P5	0.00535 (11)	0.00497 (10)	0.00632 (12)	−0.00068 (8)	0.00096 (9)	−0.00019 (8)
P6	0.00536 (11)	0.00549 (10)	0.00549 (11)	0.00029 (8)	0.00088 (8)	0.00015 (8)
Al1	0.00504 (13)	0.00500 (12)	0.00582 (14)	−0.00004 (9)	0.00069 (11)	−0.00028 (10)
Al2	0.00504 (13)	0.00437 (12)	0.00522 (14)	0.00060 (9)	0.00042 (10)	−0.00012 (10)
Al3	0.00478 (13)	0.00426 (12)	0.00582 (14)	0.00029 (9)	0.00011 (10)	−0.00015 (10)
O1	0.0108 (3)	0.0065 (3)	0.0133 (4)	−0.0026 (2)	0.0007 (3)	0.0015 (3)
O2	0.0213 (4)	0.0131 (4)	0.0086 (4)	0.0002 (3)	0.0065 (3)	0.0005 (3)
O3	0.0110 (4)	0.0129 (4)	0.0217 (5)	0.0031 (3)	0.0072 (3)	−0.0006 (3)
O4	0.0157 (4)	0.0068 (3)	0.0195 (4)	−0.0029 (3)	−0.0091 (3)	0.0002 (3)
O5	0.0147 (4)	0.0073 (3)	0.0115 (4)	−0.0024 (3)	0.0013 (3)	0.0000 (3)
O6	0.0100 (3)	0.0133 (3)	0.0060 (3)	0.0015 (3)	0.0026 (3)	−0.0003 (3)
O7	0.0071 (3)	0.0172 (4)	0.0079 (4)	0.0033 (3)	0.0023 (3)	0.0021 (3)
O8	0.0114 (3)	0.0071 (3)	0.0071 (3)	0.0011 (2)	−0.0006 (3)	0.0011 (3)
O9	0.0096 (3)	0.0145 (4)	0.0112 (4)	−0.0004 (3)	0.0045 (3)	−0.0001 (3)
O10	0.0077 (3)	0.0085 (3)	0.0073 (3)	0.0005 (2)	−0.0018 (3)	−0.0011 (3)
O11	0.0130 (4)	0.0069 (3)	0.0100 (4)	0.0001 (3)	0.0004 (3)	−0.0022 (3)
O12	0.0094 (3)	0.0087 (3)	0.0073 (3)	−0.0019 (2)	−0.0016 (3)	0.0030 (3)
O13	0.0081 (3)	0.0079 (3)	0.0094 (3)	0.0018 (2)	0.0020 (3)	0.0008 (3)
O14	0.0064 (3)	0.0083 (3)	0.0108 (4)	0.0005 (2)	0.0042 (3)	0.0004 (3)
O15	0.0091 (3)	0.0068 (3)	0.0072 (3)	−0.0023 (2)	0.0026 (3)	−0.0008 (2)
O16	0.0112 (4)	0.0116 (3)	0.0069 (4)	0.0002 (3)	−0.0004 (3)	−0.0022 (3)
O17	0.0165 (4)	0.0117 (3)	0.0093 (4)	−0.0007 (3)	0.0054 (3)	0.0000 (3)
O18	0.0083 (3)	0.0057 (3)	0.0119 (4)	−0.0020 (2)	0.0005 (3)	0.0018 (3)
O19	0.0080 (3)	0.0113 (3)	0.0175 (4)	0.0025 (3)	0.0033 (3)	0.0004 (3)
O20	0.0107 (3)	0.0078 (3)	0.0130 (4)	−0.0045 (3)	−0.0027 (3)	0.0008 (3)
O21	0.0077 (3)	0.0107 (3)	0.0070 (3)	0.0023 (2)	0.0022 (3)	0.0001 (3)
O22	0.0101 (3)	0.0092 (3)	0.0078 (3)	−0.0004 (2)	0.0028 (3)	0.0015 (3)
O23	0.0072 (3)	0.0051 (3)	0.0139 (4)	0.0009 (2)	0.0006 (3)	−0.0007 (3)
O24	0.0083 (3)	0.0133 (3)	0.0079 (4)	0.0006 (3)	−0.0011 (3)	−0.0007 (3)
K1	0.00909 (9)	0.00962 (9)	0.00989 (10)	−0.00004 (7)	0.00210 (8)	0.00004 (7)
K2	0.01006 (9)	0.00876 (9)	0.01141 (11)	−0.00028 (7)	−0.00044 (8)	−0.00135 (8)
K3	0.00859 (9)	0.00980 (9)	0.01165 (11)	−0.00057 (7)	0.00156 (8)	−0.00163 (8)
K4	0.01018 (9)	0.01036 (9)	0.00913 (10)	−0.00115 (7)	0.00219 (8)	0.00072 (7)
K5	0.01415 (11)	0.01086 (10)	0.01155 (11)	−0.00281 (7)	0.00362 (8)	−0.00148 (8)
K6	0.00872 (9)	0.00997 (9)	0.00819 (10)	0.00093 (7)	0.00236 (7)	0.00127 (7)
K7	0.00723 (9)	0.01039 (9)	0.01103 (10)	0.00059 (7)	0.00207 (8)	0.00037 (7)
K8	0.01277 (10)	0.00765 (9)	0.01026 (10)	0.00019 (7)	0.00335 (8)	0.00097 (7)
K9	0.01126 (10)	0.01316 (10)	0.01026 (10)	−0.00163 (7)	0.00134 (8)	0.00316 (8)

P1—O2	1.4993 (10)	O16—K6ix	2.7060 (11)
P1—O3	1.5030 (9)	O16—K8xi	2.7225 (10)
P1—O4	1.5645 (10)	O16—K8ix	2.8730 (10)
P1—O1	1.5760 (8)	O16—K9	2.8864 (10)
P2—O5	1.5011 (9)	O17—K3xii	2.6337 (11)
P2—O6	1.5087 (9)	O17—K5xii	2.6788 (10)
P2—O7	1.5734 (9)	O17—K2xii	2.7296 (10)
P2—O8	1.5829 (8)	O18—Al3viii	1.7396 (8)
P3—O9	1.5036 (10)	O18—K7viii	2.7891 (10)
P3—O11	1.5062 (8)	O18—K5viii	3.1088 (10)
P3—O10	1.5803 (9)	O19—K4iv	2.7005 (10)
P3—O12	1.5831 (8)	O19—K4xii	2.7761 (11)
P4—O13	1.5049 (8)	O19—K2xii	2.9721 (10)
P4—O16	1.5056 (9)	O19—K5viii	3.3087 (12)
P4—O14	1.5667 (9)	O20—Al2vi	1.7264 (8)
P4—O15	1.5881 (8)	O20—K7viii	3.0973 (10)
P5—O19	1.5043 (9)	O20—K5viii	3.1013 (12)
P5—O17	1.5049 (9)	O21—K3vi	2.8347 (9)
P5—O20	1.5682 (9)	O21—K1vi	3.0012 (10)
P5—O18	1.5767 (8)	O22—K3vi	2.6539 (10)
P6—O24	1.5029 (10)	O22—K6vi	2.6802 (9)
P6—O22	1.5068 (9)	O22—K9vi	2.6965 (9)
P6—O23	1.5770 (8)	O23—Al1vi	1.7472 (8)
P6—O21	1.5794 (9)	O23—K1vi	2.8007 (10)
Al1—O14	1.7366 (9)	O23—K9vi	3.3094 (11)
Al1—O10i	1.7457 (9)	O24—K8xi	2.5736 (9)
Al1—O23i	1.7472 (8)	O24—K9	2.7337 (10)
Al1—O15ii	1.7671 (9)	O24—K6ix	2.7531 (10)
Al2—O20i	1.7264 (8)	K1—O9i	2.6837 (10)
Al2—O1	1.7449 (9)	K1—O23i	2.8007 (10)
Al2—O21	1.7457 (10)	K1—O5v	2.8591 (11)
Al2—O12i	1.7472 (10)	K1—O21i	3.0012 (10)
Al3—O4	1.7295 (9)	K1—O1i	3.0286 (10)
Al3—O18iii	1.7396 (8)	K1—O4i	3.1684 (13)
Al3—O8iv	1.7411 (10)	K1—O3i	3.2026 (12)
Al3—O7	1.7490 (10)	K2—O5v	2.5994 (9)
O1—K4v	2.9576 (11)	K2—O17xiii	2.7296 (10)
O1—K1vi	3.0286 (10)	K2—O19xiii	2.9721 (10)
O2—K1	2.6202 (10)	K3—O17xiii	2.6337 (11)
O2—K2	2.6725 (11)	K3—O22i	2.6539 (10)
O2—K3	2.7486 (10)	K3—O11iii	2.6683 (9)
O3—K7	2.6779 (10)	K3—O21i	2.8347 (9)
O3—K9	2.7316 (11)	K4—O19iv	2.7005 (10)
O3—K3	2.9790 (11)	K4—O5iii	2.7205 (10)
O3—K1vi	3.2026 (12)	K4—O19xiii	2.7761 (11)
O4—K4v	3.0451 (10)	K4—O1vii	2.9576 (11)
O4—K1vi	3.1684 (13)	K4—O4vii	3.0451 (10)
O5—K2vii	2.5994 (9)	K5—O6vii	2.6787 (9)
O5—K4viii	2.7205 (10)	K5—O17xiii	2.6788 (10)
O5—K1vii	2.8591 (11)	K5—O9iii	2.8544 (12)
O6—K5v	2.6787 (9)	K5—O20iii	3.1013 (12)
O6—K2	2.7029 (11)	K5—O18iii	3.1088 (10)
O6—K4	2.7219 (9)	K5—O8vii	3.2476 (11)
O7—K2	2.8587 (10)	K5—O19iii	3.3087 (12)
O7—K5	3.1685 (10)	K6—O13x	2.6690 (10)
O8—Al3iv	1.7411 (10)	K6—O22i	2.6803 (9)
O8—K5v	3.2476 (11)	K6—O16xiv	2.7060 (11)
O9—K1vi	2.6837 (10)	K6—O24xiv	2.7531 (10)
O9—K5viii	2.8544 (12)	K6—O14x	2.8235 (10)
O9—K7	2.9005 (11)	K6—O11iii	2.9867 (12)
O10—Al1vi	1.7457 (9)	K6—O10iii	3.0404 (9)
O10—K8viii	2.7834 (11)	K7—O13xiv	2.6369 (9)
O10—K6viii	3.0404 (9)	K7—O18iii	2.7891 (10)
O11—K3viii	2.6683 (9)	K7—O11iii	2.7995 (10)
O11—K7viii	2.7995 (10)	K7—O15xiv	3.0928 (10)
O11—K6viii	2.9867 (12)	K7—O20iii	3.0973 (10)
O11—K8viii	3.0747 (10)	K8—O24xv	2.5736 (9)
O12—Al2vi	1.7472 (10)	K8—O13xiv	2.6179 (9)
O12—K8viii	2.9492 (10)	K8—O16xv	2.7225 (10)
O12—K9vi	3.0206 (9)	K8—O10iii	2.7834 (11)
O13—K8ix	2.6179 (9)	K8—O16xiv	2.8730 (10)
O13—K7ix	2.6369 (9)	K8—O12iii	2.9492 (10)
O13—K6x	2.6690 (10)	K8—O11iii	3.0747 (10)
O14—K6x	2.8235 (10)	K9—O22i	2.6965 (9)
O15—Al1ii	1.7671 (9)	K9—O15xiv	2.9782 (9)
O15—K9ix	2.9782 (9)	K9—O12i	3.0206 (9)
O15—K7ix	3.0928 (10)	K9—O23i	3.3094 (11)
O2—P1—O3	114.74 (6)	O6—K4—O1vii	95.55 (4)
O2—P1—O4	108.96 (6)	O19xiii—K4—O1vii	162.75 (3)
O3—P1—O4	109.93 (5)	O19iv—K4—O4vii	130.06 (3)
O2—P1—O1	110.62 (5)	O5iii—K4—O4vii	63.12 (3)
O3—P1—O1	109.99 (5)	O6—K4—O4vii	112.61 (3)
O4—P1—O1	101.83 (5)	O19xiii—K4—O4vii	138.74 (2)
O5—P2—O6	115.50 (5)	O1vii—K4—O4vii	47.89 (2)
O5—P2—O7	110.19 (5)	O6vii—K5—O17xiii	124.71 (3)
O6—P2—O7	108.14 (5)	O6vii—K5—O9iii	107.49 (3)
O5—P2—O8	110.34 (5)	O17xiii—K5—O9iii	76.28 (3)
O6—P2—O8	108.08 (5)	O6vii—K5—O20iii	101.89 (3)
O7—P2—O8	103.92 (5)	O17xiii—K5—O20iii	131.91 (3)
O9—P3—O11	115.78 (5)	O9iii—K5—O20iii	79.22 (3)
O9—P3—O10	111.44 (5)	O6vii—K5—O18iii	121.40 (3)
O11—P3—O10	106.55 (4)	O17xiii—K5—O18iii	107.24 (3)
O9—P3—O12	110.48 (5)	O9iii—K5—O18iii	109.57 (3)
O11—P3—O12	109.75 (5)	O20iii—K5—O18iii	45.61 (2)
O10—P3—O12	101.90 (5)	O6vii—K5—O7	104.90 (3)
O13—P4—O16	114.83 (5)	O17xiii—K5—O7	83.91 (3)
O13—P4—O14	107.75 (5)	O9iii—K5—O7	147.55 (2)
O16—P4—O14	110.03 (5)	O20iii—K5—O7	96.03 (2)
O13—P4—O15	109.38 (5)	O18iii—K5—O7	52.43 (2)
O16—P4—O15	109.88 (5)	O6vii—K5—O8vii	48.81 (2)
O14—P4—O15	104.43 (4)	O17xiii—K5—O8vii	76.48 (3)
O19—P5—O17	114.32 (6)	O9iii—K5—O8vii	90.66 (3)
O19—P5—O20	110.19 (5)	O20iii—K5—O8vii	144.56 (2)
O17—P5—O20	110.20 (5)	O18iii—K5—O8vii	159.77 (2)
O19—P5—O18	110.88 (5)	O7—K5—O8vii	109.55 (3)
O17—P5—O18	110.42 (5)	O6vii—K5—O19iii	75.39 (3)
O20—P5—O18	99.89 (5)	O17xiii—K5—O19iii	149.41 (2)
O24—P6—O22	116.61 (5)	O9iii—K5—O19iii	122.93 (3)
O24—P6—O23	108.41 (4)	O20iii—K5—O19iii	46.16 (2)
O22—P6—O23	109.19 (5)	O18iii—K5—O19iii	46.45 (2)
O24—P6—O21	110.50 (5)	O7—K5—O19iii	67.55 (3)
O22—P6—O21	108.33 (5)	O8vii—K5—O19iii	122.41 (2)
O23—P6—O21	102.92 (4)	O13x—K6—O22i	86.84 (3)
O14—Al1—O10i	111.38 (5)	O13x—K6—O16xiv	168.34 (2)
O14—Al1—O23i	109.29 (4)	O22i—K6—O16xiv	104.31 (3)
O10i—Al1—O23i	105.73 (4)	O13x—K6—O24xiv	112.32 (4)
O14—Al1—O15ii	107.00 (5)	O22i—K6—O24xiv	112.38 (3)
O10i—Al1—O15ii	110.15 (4)	O16xiv—K6—O24xiv	66.94 (4)
O23i—Al1—O15ii	113.35 (5)	O13x—K6—O14x	53.63 (3)
O20i—Al2—O1	107.57 (5)	O22i—K6—O14x	133.66 (3)
O20i—Al2—O21	108.87 (4)	O16xiv—K6—O14x	117.48 (3)
O1—Al2—O21	109.31 (4)	O24xiv—K6—O14x	70.39 (3)
O20i—Al2—O12i	108.74 (4)	O13x—K6—O11iii	94.96 (3)
O1—Al2—O12i	111.28 (4)	O22i—K6—O11iii	88.10 (3)
O21—Al2—O12i	110.98 (4)	O16xiv—K6—O11iii	82.20 (3)
O4—Al3—O18iii	110.83 (5)	O24xiv—K6—O11iii	146.01 (3)
O4—Al3—O8iv	110.07 (4)	O14x—K6—O11iii	115.41 (3)
O18iii—Al3—O8iv	108.12 (4)	O13x—K6—O10iii	69.86 (2)
O4—Al3—O7	107.13 (5)	O22i—K6—O10iii	125.73 (3)
O18iii—Al3—O7	105.30 (4)	O16xiv—K6—O10iii	100.27 (3)
O8iv—Al3—O7	115.31 (4)	O24xiv—K6—O10iii	121.72 (2)
O2—K1—O9i	112.37 (3)	O14x—K6—O10iii	67.14 (3)
O2—K1—O23i	93.41 (4)	O11iii—K6—O10iii	48.47 (2)
O9i—K1—O23i	77.18 (3)	O13xiv—K7—O3	123.45 (3)
O2—K1—O5v	80.25 (4)	O13xiv—K7—O18iii	150.88 (2)
O9i—K1—O5v	118.54 (3)	O3—K7—O18iii	84.97 (3)
O23i—K1—O5v	164.26 (2)	O13xiv—K7—O11iii	78.51 (4)
O2—K1—O21i	79.16 (3)	O3—K7—O11iii	93.31 (3)
O9i—K1—O21i	127.19 (3)	O18iii—K7—O11iii	95.01 (4)
O23i—K1—O21i	50.22 (2)	O13xiv—K7—O9	96.66 (4)
O5v—K1—O21i	114.15 (3)	O3—K7—O9	93.94 (3)
O2—K1—O1i	112.50 (3)	O18iii—K7—O9	86.56 (4)
O9i—K1—O1i	134.51 (3)	O11iii—K7—O9	172.69 (2)
O23i—K1—O1i	93.09 (4)	O13xiv—K7—O15xiv	51.54 (2)
O5v—K1—O1i	76.36 (4)	O3—K7—O15xiv	73.92 (3)
O21i—K1—O1i	56.35 (3)	O18iii—K7—O15xiv	157.43 (2)
O2—K1—O4i	137.20 (3)	O11iii—K7—O15xiv	94.11 (3)
O9i—K1—O4i	101.05 (3)	O9—K7—O15xiv	87.00 (3)
O23i—K1—O4i	120.30 (3)	O13xiv—K7—O20iii	103.94 (3)
O5v—K1—O4i	60.10 (3)	O3—K7—O20iii	125.85 (3)
O21i—K1—O4i	101.67 (3)	O18iii—K7—O20iii	47.93 (2)
O1i—K1—O4i	46.26 (2)	O11iii—K7—O20iii	70.36 (3)
O2—K1—O3i	154.13 (3)	O9—K7—O20iii	105.91 (3)
O9i—K1—O3i	87.31 (3)	O15xiv—K7—O20iii	154.20 (2)
O23i—K1—O3i	74.07 (4)	O24xv—K8—O13xiv	93.69 (3)
O5v—K1—O3i	105.70 (4)	O24xv—K8—O16xv	69.23 (3)
O21i—K1—O3i	75.45 (3)	O13xiv—K8—O16xv	151.96 (3)
O1i—K1—O3i	47.66 (2)	O24xv—K8—O10iii	115.18 (3)
O4i—K1—O3i	46.44 (3)	O13xiv—K8—O10iii	123.38 (3)
O5v—K2—O2	84.23 (3)	O16xv—K8—O10iii	84.54 (3)
O5v—K2—O6	110.99 (3)	O24xv—K8—O16xiv	140.75 (3)
O2—K2—O6	143.69 (3)	O13xiv—K8—O16xiv	54.79 (3)
O5v—K2—O17xiii	125.94 (3)	O16xv—K8—O16xiv	127.063 (19)
O2—K2—O17xiii	85.69 (3)	O10iii—K8—O16xiv	102.63 (2)
O6—K2—O17xiii	108.13 (3)	O24xv—K8—O12iii	75.02 (3)
O5v—K2—O7	144.48 (3)	O13xiv—K8—O12iii	98.75 (3)
O2—K2—O7	94.94 (3)	O16xv—K8—O12iii	97.98 (3)
O6—K2—O7	53.24 (3)	O10iii—K8—O12iii	50.65 (3)
O17xiii—K2—O7	89.24 (3)	O16xiv—K8—O12iii	127.26 (2)
O5v—K2—O19xiii	91.51 (3)	O24xv—K8—O11iii	118.61 (3)
O2—K2—O19xiii	123.16 (3)	O13xiv—K8—O11iii	73.93 (3)
O6—K2—O19xiii	90.25 (3)	O16xv—K8—O11iii	133.49 (3)
O17xiii—K2—O19xiii	52.44 (3)	O10iii—K8—O11iii	49.66 (3)
O7—K2—O19xiii	117.53 (3)	O16xiv—K8—O11iii	78.05 (3)
O17xiii—K3—O22i	141.01 (3)	O12iii—K8—O11iii	49.56 (2)
O17xiii—K3—O11iii	108.28 (3)	O22i—K9—O3	88.63 (4)
O22i—K3—O11iii	95.71 (3)	O22i—K9—O24	165.65 (3)
O17xiii—K3—O2	86.06 (3)	O3—K9—O24	105.39 (3)
O22i—K3—O2	96.21 (3)	O22i—K9—O16	101.07 (4)
O11iii—K3—O2	138.28 (3)	O3—K9—O16	169.42 (3)
O17xiii—K3—O21i	88.37 (3)	O24—K9—O16	64.73 (3)
O22i—K3—O21i	54.13 (3)	O22i—K9—O15xiv	104.22 (3)
O11iii—K3—O21i	137.29 (3)	O3—K9—O15xiv	75.10 (3)
O2—K3—O21i	80.11 (3)	O24—K9—O15xiv	77.10 (3)
O17xiii—K3—O3	124.84 (3)	O16—K9—O15xiv	98.19 (3)
O22i—K3—O3	84.42 (4)	O22i—K9—O12i	112.94 (3)
O11iii—K3—O3	89.56 (3)	O3—K9—O12i	87.10 (3)
O2—K3—O3	52.20 (3)	O24—K9—O12i	71.65 (3)
O21i—K3—O3	113.19 (3)	O16—K9—O12i	92.90 (3)
O19iv—K4—O5iii	95.09 (3)	O15xiv—K9—O12i	138.23 (3)
O19iv—K4—O6	85.91 (3)	O22i—K9—O23i	48.17 (2)
O5iii—K4—O6	175.02 (3)	O3—K9—O23i	101.27 (3)
O19iv—K4—O19xiii	80.50 (3)	O24—K9—O23i	129.23 (3)
O5iii—K4—O19xiii	90.82 (4)	O16—K9—O23i	88.46 (3)
O6—K4—O19xiii	94.15 (4)	O15xiv—K9—O23i	152.38 (2)
O19iv—K4—O1vii	86.01 (3)	O12i—K9—O23i	67.43 (2)
O5iii—K4—O1vii	79.67 (4)

atom K	coord. number	K—O distances (Å)
K1	8	2.6202 (10)–3.2026 (12)
K2	7	2.5994 (9)–2.9721 (10)
K3	6	2.6337 (11)–2.9790 (11)
K4	6	2.7005 (10)–3.0451 (10)
K5	8	2.6787 (9)–3.3087 (12)
K6	7	2.6690 (10)–3.0404 (9)
K7	7	2.6369 (9)–3.0973 (10)
K8	7	2.5736 (9)–3.0747 (10)
K9	7	2.6965 (9)–3.3094 (11)

atom K	K—Oterminal / K—Obridge distances (Å)
K1	2.6202 (12)–3.2027 (18) / 3.0287 (14)–3.1684 (16)
K2	2.5994 (12)–2.9722 (14) / 2.8588 (14)
K3	2.6337 (13)–2.9790 (14) / 2.8348 (13)
K4	2.7006 (13)–2.7762 (15) / 2.9576 (15)–3.0451 (13)
K5	2.6787 (11)–3.3088 (19) / 3.1012 (15)–3.2476 (15)
K6	2.6690 (14)–2.9869 (16) / 2.8236 (13)–3.0405 (13)
K7	2.6368 (12)–2.9005 (15) / 2.7891 (14)–3.0974 (13)
K8	2.5737 (12)–3.0747 (13) / 2.9491 (13)
K9	2.6965 (2)–2.8865 (13) / 2.9783 (12)–3.3095 (16)

Table 1

Characterization of K—O coordination spheres; coordination number as well as minimal and maximal distances (Å) within the coordination spheres for each K atom are given

Atom K	Coordination number	K—O distances
K1	8	2.6202 (10)–3.2026 (12)
K2	7	2.5994 (9)–2.9721 (10)
K3	6	2.6337 (11)–2.9790 (11)
K4	6	2.7005 (10)–3.0451 (10)
K5	8	2.6787 (9)–3.3087 (12)
K6	7	2.6690 (10)–3.0404 (9)
K7	7	2.6369 (9)–3.0973 (10)
K8	7	2.5736 (9)–3.0747 (10)
K9	7	2.6965 (9)–3.3094 (11)

Table 2

Characterization of K—O coordination spheres; the minimal and maximal K—O distances (Å) for the terminal and bridging O atoms (there is only one bridging oxygen in the coordination spheres of K2, K3, and K8)

Atom K	K—Oterminal / K—Obridge distances
K1	2.6202 (12)–3.2027 (18) / 3.0287 (14)–3.1684 (16)
K2	2.5994 (12)–2.9722 (14) / 2.8588 (14)
K3	2.6337 (13)–2.9790 (14) / 2.8348 (13)
K4	2.7006 (13)–2.7762 (15) / 2.9576 (15)–3.0451 (13)
K5	2.6787 (11)–3.3088 (19) / 3.1012 (15)–3.2476 (15)
K6	2.6690 (14)–2.9869 (16) / 2.8236 (13)–3.0405 (13)
K7	2.6368 (12)–2.9005 (15) / 2.7891 (14)–3.0974 (13)
K8	2.5737 (12)–3.0747 (13) / 2.9491 (13)
K9	2.6965 (2)–2.8865 (13) / 2.9783 (12)–3.3095 (16)