M⁺M³⁺₂As(HAsO₄)₆ and α- and β-M⁺M³⁺(HAsO₄)₂ (M⁺M³⁺ = RbAl or CsFe): six new compounds crystallizing in three closely related structure types

The crystal structures of hydro­thermally synthesized (T = 493 K, 7–9 d) rubidium aluminium bis­[hydrogen arsenate(V)], RbAl(HAsO₄)₂, caesium iron bis­[hydrogen arsenate(V)], CsFe(HAsO₄)₂, rubidium dialuminium arsenic(V) hexakis­[hydrogen arsenate(V)], RbAl₂As(HAsO₄)₆, and caesium diiron arsenic(V) hexakis­[hydrogen arsenate(V)], CsFe₂As(HAsO₄)₆, were solved by single-crystal X-ray diffraction. The four compounds with the general formula M⁺M³⁺(HAsO₄)₂ adopt the RbFe(HPO₄)₂ structure type (Rc) and a closely related new structure type, which is characterized by a different stacking order of the building units, leading to noncentrosymmetric space-group symmetry R32. The second new structure type, with the general formula M⁺M³⁺₂As(HAsO₄)₆ (Rc), is also a modification of the RbFe(HPO₄)₂ structure type, in which one third of the M³⁺O₆ octa­hedra are replaced by AsO₆ octa­hedra, and two thirds of the voids in the structure, which are usually filled by M⁺ cations, remain empty to achieve charge balance.

Computing details

For all structures, data collection: COLLECT (Nonius, 2003); cell refinement: SCALEPACK (Otwinowski et al., 2003); data reduction: DENZO and SCALEPACK (Otwinowski et al., 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2016 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 2005).

Caesium diiron arsenic(V) hexakiskis[hydrogen arsenate(V)] (csfeasas)

Crystal data

CsFe2As(HAsO4)6	Dx = 3.554 Mg m^−3
Mr = 1159.10	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3c:H	Cell parameters from 2641 reflections
a = 8.582 (1) Å	θ = 2.4–32.5°
c = 50.942 (11) Å	µ = 13.72 mm^−1
V = 3249.3 (10) Å^3	T = 293 K
Z = 6	Pseudooctahedra, colourless
F(000) = 3216	0.11 × 0.07 × 0.05 mm

Data collection

Nonius KappaCCD single-crystal four-circle diffractometer	1196 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.015
φ and ω scans	θmax = 32.5°, θmin = 2.4°
Absorption correction: multi-scan (SCALEPACK; Otwinowski et al., 2003)	h = −12→12
Tmin = 0.314, Tmax = 0.547	k = −10→10
4822 measured reflections	l = −76→76
1322 independent reflections

Refinement

Refinement on F^2	Hydrogen site location: difference Fourier map
Least-squares matrix: full	All H-atom parameters refined
R[F^2 > 2σ(F^2)] = 0.015	w = 1/[σ^2(Fo^2) + (0.0138P)^2 + 7.8562P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.035	(Δ/σ)max = 0.009
S = 1.17	Δρmax = 0.58 e Å^−3
1322 reflections	Δρmin = −0.48 e Å^−3
65 parameters	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
2 restraints	Extinction coefficient: 0.000308 (18)

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cs1A	0.000000	0.000000	0.750000	0.039 (3)	0.581 (3)
Cs1B	0.000000	−0.029 (2)	0.750000	0.0317 (10)	0.1396 (9)
Fe1	0.333333	0.666667	0.75608 (2)	0.00845 (8)
As1	0.333333	0.666667	0.666667	0.00727 (7)
As2	−0.44873 (2)	−0.41251 (2)	0.71078 (2)	0.00850 (5)
O1	0.39608 (15)	−0.46916 (15)	0.68625 (2)	0.0110 (2)
O2	−0.45414 (15)	−0.27699 (15)	0.73365 (2)	0.0113 (2)
O3	−0.23794 (17)	−0.29555 (18)	0.69732 (3)	0.0206 (3)
O4	0.49072 (15)	−0.12389 (15)	0.77917 (2)	0.0123 (2)
H	−0.187 (4)	−0.353 (4)	0.7006 (5)	0.043 (8)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cs1A	0.032 (3)	0.032 (3)	0.052 (2)	0.0161 (16)	0.000	0.000
Cs1B	0.025 (2)	0.030 (3)	0.038 (3)	0.0125 (12)	0.0026 (12)	0.0013 (6)
Fe1	0.00890 (10)	0.00890 (10)	0.00754 (15)	0.00445 (5)	0.000	0.000
As1	0.00815 (10)	0.00815 (10)	0.00553 (15)	0.00407 (5)	0.000	0.000
As2	0.00943 (8)	0.00923 (8)	0.00819 (8)	0.00568 (6)	0.00004 (5)	0.00043 (5)
O1	0.0146 (5)	0.0119 (5)	0.0084 (5)	0.0079 (4)	−0.0032 (4)	0.0003 (4)
O2	0.0122 (5)	0.0117 (5)	0.0105 (5)	0.0063 (4)	−0.0001 (4)	−0.0022 (4)
O3	0.0131 (5)	0.0221 (6)	0.0272 (7)	0.0091 (5)	0.0089 (5)	0.0077 (5)
O4	0.0142 (5)	0.0103 (5)	0.0143 (5)	0.0075 (4)	−0.0026 (4)	−0.0041 (4)

Geometric parameters (Å, º)

Cs1A—Cs1B^i	0.25 (2)	Cs1B—O3^i	3.507 (4)
Cs1A—Cs1B^ii	0.25 (2)	Cs1B—O3^iv	3.507 (4)
Cs1A—O2^iii	3.5028 (12)	Cs1B—O3^v	3.720 (14)
Cs1A—O2^iv	3.5028 (12)	Cs1B—O3^ii	3.720 (14)
Cs1A—O2^ii	3.5028 (12)	Fe1—O2^vi	1.9959 (11)
Cs1A—O2^v	3.5028 (12)	Fe1—O2^ii	1.9959 (12)
Cs1A—O2^i	3.5028 (12)	Fe1—O2^vii	1.9959 (11)
Cs1A—O2	3.5028 (12)	Fe1—O4^viii	2.0027 (12)
Cs1A—O3^v	3.5531 (16)	Fe1—O4^i	2.0027 (11)
Cs1A—O3^i	3.5531 (16)	Fe1—O4^ix	2.0027 (11)
Cs1A—O3^iv	3.5531 (16)	As1—O1^x	1.8087 (11)
Cs1A—O3^iii	3.5532 (16)	As1—O1^xi	1.8087 (11)
Cs1B—Cs1B^i	0.44 (4)	As1—O1^xii	1.8087 (11)
Cs1B—Cs1B^ii	0.44 (4)	As1—O1^i	1.8088 (11)
Cs1B—O2^iv	3.312 (16)	As1—O1^ix	1.8088 (11)
Cs1B—O2^i	3.312 (16)	As1—O1^viii	1.8088 (11)
Cs1B—O3^iii	3.453 (8)	As2—O2	1.6632 (11)
Cs1B—O3	3.453 (8)	As2—O4^iii	1.6660 (11)
Cs1B—O2^iii	3.4810 (16)	As2—O1^xiii	1.7099 (11)
Cs1B—O2	3.4810 (17)	As2—O3	1.7129 (13)
Cs1B^i—Cs1A—Cs1B^ii	120.00 (13)	O2^i—Cs1B—O3^iv	118.1 (5)
Cs1B^i—Cs1A—O2^iii	39.345 (19)	O3^iii—Cs1B—O3^iv	70.83 (13)
Cs1B^ii—Cs1A—O2^iii	153.59 (11)	O3—Cs1B—O3^iv	102.7 (2)
Cs1B^i—Cs1A—O2^iv	153.59 (3)	O2^iii—Cs1B—O3^iv	114.62 (11)
Cs1B^ii—Cs1A—O2^iv	82.97 (13)	O2—Cs1B—O3^iv	64.42 (5)
O2^iii—Cs1A—O2^iv	114.532 (13)	O3^i—Cs1B—O3^iv	162.9 (7)
Cs1B^i—Cs1A—O2^ii	39.345 (19)	Cs1B^i—Cs1B—O3^v	49.53 (18)
Cs1B^ii—Cs1A—O2^ii	82.97 (13)	Cs1B^ii—Cs1B—O3^v	57.73 (15)
O2^iii—Cs1A—O2^ii	78.69 (4)	O2^iv—Cs1B—O3^v	113.38 (3)
O2^iv—Cs1A—O2^ii	165.95 (4)	O2^i—Cs1B—O3^v	128.06 (4)
Cs1B^i—Cs1A—O2^v	82.975 (19)	O3^iii—Cs1B—O3^v	68.32 (10)
Cs1B^ii—Cs1A—O2^v	39.35 (12)	O3—Cs1B—O3^v	150.4 (4)
O2^iii—Cs1A—O2^v	114.532 (14)	O2^iii—Cs1B—O3^v	75.55 (18)
O2^iv—Cs1A—O2^v	114.532 (14)	O2—Cs1B—O3^v	108.6 (3)
O2^ii—Cs1A—O2^v	52.82 (4)	O3^i—Cs1B—O3^v	125.6 (4)
Cs1B^i—Cs1A—O2^i	82.975 (19)	O3^iv—Cs1B—O3^v	67.78 (14)
Cs1B^ii—Cs1A—O2^i	153.59 (11)	Cs1B^i—Cs1B—O3^ii	57.7 (2)
O2^iii—Cs1A—O2^i	52.82 (4)	Cs1B^ii—Cs1B—O3^ii	49.53 (16)
O2^iv—Cs1A—O2^i	78.69 (4)	O2^iv—Cs1B—O3^ii	128.06 (4)
O2^ii—Cs1A—O2^i	114.532 (14)	O2^i—Cs1B—O3^ii	113.38 (3)
O2^v—Cs1A—O2^i	165.95 (4)	O3^iii—Cs1B—O3^ii	150.4 (4)
Cs1B^i—Cs1A—O2	153.59 (3)	O3—Cs1B—O3^ii	68.32 (10)
Cs1B^ii—Cs1A—O2	39.35 (12)	O2^iii—Cs1B—O3^ii	108.6 (3)
O2^iii—Cs1A—O2	165.95 (4)	O2—Cs1B—O3^ii	75.55 (18)
O2^iv—Cs1A—O2	52.82 (4)	O3^i—Cs1B—O3^ii	67.78 (14)
O2^ii—Cs1A—O2	114.531 (13)	O3^iv—Cs1B—O3^ii	125.6 (4)
O2^v—Cs1A—O2	78.69 (4)	O3^v—Cs1B—O3^ii	93.9 (5)
O2^i—Cs1A—O2	114.531 (14)	O2^vi—Fe1—O2^ii	90.49 (5)
Cs1B^i—Cs1A—O3^v	64.75 (3)	O2^vi—Fe1—O2^vii	90.49 (5)
Cs1B^ii—Cs1A—O3^v	77.42 (9)	O2^ii—Fe1—O2^vii	90.49 (5)
O2^iii—Cs1A—O3^v	77.47 (3)	O2^vi—Fe1—O4^viii	90.84 (5)
O2^iv—Cs1A—O3^v	112.92 (3)	O2^ii—Fe1—O4^viii	178.66 (5)
O2^ii—Cs1A—O3^v	63.72 (3)	O2^vii—Fe1—O4^viii	89.67 (5)
O2^v—Cs1A—O3^v	44.66 (3)	O2^vi—Fe1—O4^i	89.67 (5)
O2^i—Cs1A—O3^v	127.37 (3)	O2^ii—Fe1—O4^i	90.84 (5)
O2—Cs1A—O3^v	111.99 (3)	O2^vii—Fe1—O4^i	178.66 (5)
Cs1B^i—Cs1A—O3^i	64.75 (3)	O4^viii—Fe1—O4^i	89.00 (5)
Cs1B^ii—Cs1A—O3^i	130.11 (3)	O2^vi—Fe1—O4^ix	178.66 (5)
O2^iii—Cs1A—O3^i	63.72 (3)	O2^ii—Fe1—O4^ix	89.67 (5)
O2^iv—Cs1A—O3^i	111.99 (3)	O2^vii—Fe1—O4^ix	90.84 (5)
O2^ii—Cs1A—O3^i	77.47 (3)	O4^viii—Fe1—O4^ix	89.00 (5)
O2^v—Cs1A—O3^i	127.37 (3)	O4^i—Fe1—O4^ix	89.00 (5)
O2^i—Cs1A—O3^i	44.66 (3)	O1^x—As1—O1^xi	92.51 (5)
O2—Cs1A—O3^i	112.92 (3)	O1^x—As1—O1^xii	92.51 (5)
O3^v—Cs1A—O3^i	129.51 (5)	O1^xi—As1—O1^xii	92.51 (5)
Cs1B^i—Cs1A—O3^iv	130.11 (2)	O1^x—As1—O1^i	87.49 (5)
Cs1B^ii—Cs1A—O3^iv	64.75 (8)	O1^xi—As1—O1^i	180.00 (9)
O2^iii—Cs1A—O3^iv	112.92 (3)	O1^xii—As1—O1^i	87.49 (5)
O2^iv—Cs1A—O3^iv	44.66 (3)	O1^x—As1—O1^ix	180.0
O2^ii—Cs1A—O3^iv	127.37 (3)	O1^xi—As1—O1^ix	87.49 (5)
O2^v—Cs1A—O3^iv	77.47 (3)	O1^xii—As1—O1^ix	87.49 (5)
O2^i—Cs1A—O3^iv	111.99 (3)	O1^i—As1—O1^ix	92.51 (5)
O2—Cs1A—O3^iv	63.72 (3)	O1^x—As1—O1^viii	87.49 (5)
O3^v—Cs1A—O3^iv	69.17 (4)	O1^xi—As1—O1^viii	87.49 (5)
O3^i—Cs1A—O3^iv	154.84 (4)	O1^xii—As1—O1^viii	180.00 (6)
Cs1B^i—Cs1A—O3^iii	77.42 (2)	O1^i—As1—O1^viii	92.51 (5)
Cs1B^ii—Cs1A—O3^iii	130.11 (3)	O1^ix—As1—O1^viii	92.51 (5)
O2^iii—Cs1A—O3^iii	44.66 (3)	O2—As2—O4^iii	116.45 (6)
O2^iv—Cs1A—O3^iii	77.47 (3)	O2—As2—O1^xiii	114.87 (6)
O2^ii—Cs1A—O3^iii	111.99 (3)	O4^iii—As2—O1^xiii	101.33 (6)
O2^v—Cs1A—O3^iii	112.92 (3)	O2—As2—O3	105.14 (7)
O2^i—Cs1A—O3^iii	63.72 (3)	O4^iii—As2—O3	110.39 (6)
O2—Cs1A—O3^iii	127.37 (3)	O1^xiii—As2—O3	108.57 (6)
O3^v—Cs1A—O3^iii	69.17 (4)	O2—As2—Cs1B^ii	51.2 (3)
O3^i—Cs1A—O3^iii	99.78 (4)	O4^iii—As2—Cs1B^ii	112.92 (17)
O3^iv—Cs1A—O3^iii	69.17 (4)	O1^xiii—As2—Cs1B^ii	145.70 (16)
Cs1B^i—Cs1B—Cs1B^ii	60.00 (3)	O3—As2—Cs1B^ii	58.3 (2)
Cs1B^i—Cs1B—O2^iv	162.4 (2)	O2—As2—Cs1B	56.2 (2)
Cs1B^ii—Cs1B—O2^iv	109.4 (3)	O4^iii—As2—Cs1B	108.1 (3)
Cs1B^i—Cs1B—O2^i	109.4 (2)	O1^xiii—As2—Cs1B	150.0 (3)
Cs1B^ii—Cs1B—O2^i	162.42 (14)	O3—As2—Cs1B	55.56 (8)
O2^iv—Cs1B—O2^i	84.2 (5)	Cs1B^ii—As2—Cs1B	6.1 (5)
Cs1B^i—Cs1B—O3^iii	93.5 (3)	O2—As2—Cs1A	54.06 (4)
Cs1B^ii—Cs1B—O3^iii	125.0 (3)	O4^iii—As2—Cs1A	111.11 (4)
O2^iv—Cs1B—O3^iii	81.5 (3)	O1^xiii—As2—Cs1A	147.23 (4)
O2^i—Cs1B—O3^iii	66.8 (3)	O3—As2—Cs1A	56.16 (5)
Cs1B^i—Cs1B—O3	125.0 (3)	Cs1B^ii—As2—Cs1A	3.1 (3)
Cs1B^ii—Cs1B—O3	93.5 (3)	Cs1B—As2—Cs1A	3.2 (3)
O2^iv—Cs1B—O3	66.8 (3)	As2^xiv—O1—As1^xv	131.33 (7)
O2^i—Cs1B—O3	81.5 (3)	As2—O2—Fe1^xvi	124.97 (6)
O3^iii—Cs1B—O3	137.1 (7)	As2—O2—Cs1B^ii	105.8 (2)
Cs1B^i—Cs1B—O2^iii	63.8 (3)	Fe1^xvi—O2—Cs1B^ii	125.07 (18)
Cs1B^ii—Cs1B—O2^iii	121.9 (3)	As2—O2—Cs1B	100.4 (3)
O2^iv—Cs1B—O2^iii	120.3 (5)	Fe1^xvi—O2—Cs1B	128.28 (13)
O2^i—Cs1B—O2^iii	54.53 (14)	Cs1B^ii—O2—Cs1B	6.8 (6)
O3^iii—Cs1B—O2^iii	45.49 (7)	As2—O2—Cs1A	103.33 (5)
O3—Cs1B—O2^iii	131.6 (3)	Fe1^xvi—O2—Cs1A	126.89 (4)
Cs1B^i—Cs1B—O2	121.9 (4)	Cs1B^ii—O2—Cs1A	2.8 (2)
Cs1B^ii—Cs1B—O2	63.8 (4)	Cs1B—O2—Cs1A	4.1 (4)
O2^iv—Cs1B—O2	54.54 (14)	As2—O2—Cs1B^i	103.84 (6)
O2^i—Cs1B—O2	120.3 (5)	Fe1^xvi—O2—Cs1B^i	127.06 (5)
O3^iii—Cs1B—O2	131.6 (3)	Cs1B^ii—O2—Cs1B^i	2.02 (18)
O3—Cs1B—O2	45.49 (7)	Cs1B—O2—Cs1B^i	5.7 (5)
O2^iii—Cs1B—O2	174.2 (7)	Cs1A—O2—Cs1B^i	1.72 (14)
Cs1B^i—Cs1B—O3^i	79.4 (3)	As2—O3—Cs1B	100.29 (6)
Cs1B^ii—Cs1B—O3^i	116.2 (3)	As2—O3—Cs1B^ii	97.2 (3)
O2^iv—Cs1B—O3^i	118.1 (5)	Cs1B—O3—Cs1B^ii	7.1 (6)
O2^i—Cs1B—O3^i	46.19 (12)	As2—O3—Cs1A	100.24 (6)
O3^iii—Cs1B—O3^i	102.7 (2)	Cs1B—O3—Cs1A	3.8 (3)
O3—Cs1B—O3^i	70.83 (13)	Cs1B^ii—O3—Cs1A	4.0 (3)
O2^iii—Cs1B—O3^i	64.42 (5)	As2—O3—Cs1B^i	103.0 (2)
O2—Cs1B—O3^i	114.62 (11)	Cs1B—O3—Cs1B^i	5.5 (5)
Cs1B^i—Cs1B—O3^iv	116.2 (3)	Cs1B^ii—O3—Cs1B^i	6.0 (5)
Cs1B^ii—Cs1B—O3^iv	79.4 (4)	Cs1A—O3—Cs1B^i	3.0 (2)
O2^iv—Cs1B—O3^iv	46.19 (12)	As2^iii—O4—Fe1^xv	126.43 (6)

Symmetry codes: (i) −y, x−y, z; (ii) −x+y, −x, z; (iii) −x, −x+y, −z+3/2; (iv) y, x, −z+3/2; (v) x−y, −y, −z+3/2; (vi) −y, x−y+1, z; (vii) x+1, y+1, z; (viii) x, y+1, z; (ix) −x+y+1, −x+1, z; (x) x−y−1/3, x+1/3, −z+4/3; (xi) y+2/3, −x+y+4/3, −z+4/3; (xii) −x+2/3, −y+1/3, −z+4/3; (xiii) x−1, y, z; (xiv) x+1, y, z; (xv) x, y−1, z; (xvi) x−1, y−1, z.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H···O4^xvii	0.82 (3)	1.97 (3)	2.7481 (18)	157 (3)

Symmetry code: (xvii) y, x−1, −z+3/2.

Caesium iron bis[hydrogen arsenate(V)] (csfehas)

Crystal data

CsFe(HAsO4)2	Dx = 4.047 Mg m^−3
Mr = 468.62	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3c:H	Cell parameters from 2808 reflections
a = 8.5247 (10) Å	θ = 3.1–30.0°
c = 55.001 (11) Å	µ = 15.17 mm^−1
V = 3461.5 (11) Å^3	T = 293 K
Z = 18	Small pseudohexagonal plate, colourless
F(000) = 3834	0.04 × 0.03 × 0.02 mm

Data collection

Nonius KappaCCD single-crystal four-circle diffractometer	996 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.021
φ and ω scans	θmax = 30.0°, θmin = 3.1°
Absorption correction: multi-scan (SCALEPACK; Otwinowski et al., 2003)	h = −12→12
Tmin = 0.582, Tmax = 0.751	k = −9→9
4078 measured reflections	l = −77→77
1127 independent reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.021	All H-atom parameters refined
wR(F^2) = 0.049	w = 1/[σ^2(Fo^2) + (0.020P)^2 + 28.9927P] where P = (Fo^2 + 2Fc^2)/3
S = 1.11	(Δ/σ)max = 0.029
1127 reflections	Δρmax = 1.23 e Å^−3
65 parameters	Δρmin = −0.68 e Å^−3
2 restraints	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.000028 (9)

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cs1A	0.000000	0.000000	0.750000	0.0266 (3)	0.944 (3)
Cs1B	0.000000	−0.044 (3)	0.750000	0.012 (5)*	0.0188 (9)
Cs2	0.000000	0.000000	0.66690 (2)	0.02549 (11)
Fe1	0.333333	0.666667	0.75348 (2)	0.00900 (15)
Fe2	0.333333	0.666667	0.666667	0.0096 (2)
As	−0.43450 (4)	−0.40015 (4)	0.71285 (2)	0.01047 (9)
O1	0.4528 (3)	−0.4393 (3)	0.68680 (4)	0.0187 (5)
O2	−0.4487 (3)	−0.2605 (3)	0.73296 (4)	0.0131 (4)
O3	−0.2065 (3)	−0.2919 (3)	0.70530 (5)	0.0187 (5)
O4	0.4813 (3)	−0.1206 (3)	0.77566 (4)	0.0136 (4)
H	−0.160 (6)	−0.352 (5)	0.7097 (8)	0.028 (12)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cs1A	0.0295 (4)	0.0295 (4)	0.0208 (5)	0.0148 (2)	0.000	0.000
Cs2	0.02974 (15)	0.02974 (15)	0.01699 (18)	0.01487 (8)	0.000	0.000
Fe1	0.0096 (2)	0.0096 (2)	0.0079 (3)	0.00478 (11)	0.000	0.000
Fe2	0.0107 (3)	0.0107 (3)	0.0073 (4)	0.00534 (15)	0.000	0.000
As	0.01301 (15)	0.01112 (15)	0.00907 (14)	0.00737 (12)	0.00064 (11)	0.00091 (11)
O1	0.0259 (12)	0.0250 (12)	0.0112 (10)	0.0172 (10)	−0.0045 (9)	−0.0013 (9)
O2	0.0129 (10)	0.0126 (10)	0.0135 (10)	0.0061 (8)	0.0021 (8)	−0.0031 (8)
O3	0.0164 (11)	0.0176 (11)	0.0255 (13)	0.0111 (10)	0.0092 (9)	0.0095 (10)
O4	0.0150 (10)	0.0123 (10)	0.0141 (10)	0.0074 (9)	−0.0016 (8)	−0.0037 (8)

Geometric parameters (Å, º)

Cs1A—Cs1B^i	0.37 (3)	Cs1B—O4^vi	3.91 (2)
Cs1A—Cs1B^ii	0.37 (3)	Cs2—O3^i	3.061 (2)
Cs1A—O3	3.310 (3)	Cs2—O3^ii	3.061 (2)
Cs1A—O3^iii	3.310 (3)	Cs2—O3	3.061 (2)
Cs1A—O3^iv	3.310 (3)	Cs2—O1^vii	3.445 (2)
Cs1A—O3^ii	3.310 (3)	Cs2—O1^viii	3.445 (2)
Cs1A—O3^v	3.310 (3)	Cs2—O1^ix	3.445 (2)
Cs1A—O3^i	3.310 (3)	Cs2—O3^x	3.534 (3)
Cs1A—O2	3.456 (2)	Cs2—O3^xi	3.534 (3)
Cs1A—O2^iv	3.456 (2)	Cs2—O3^xii	3.534 (3)
Cs1A—O2^ii	3.456 (2)	Cs2—O4^xiii	3.569 (2)
Cs1A—O2^v	3.456 (2)	Cs2—O4^xiv	3.569 (2)
Cs1A—O2^iii	3.456 (2)	Cs2—O4^xv	3.569 (2)
Cs1A—O2^i	3.456 (2)	Fe1—O2^xvi	1.990 (2)
Cs1A—As^iv	4.1103 (5)	Fe1—O2^ii	1.990 (2)
Cs1B—Cs1B^i	0.64 (5)	Fe1—O2^xvii	1.990 (2)
Cs1B—Cs1B^ii	0.64 (5)	Fe1—O4^xviii	2.020 (2)
Cs1B—O3	3.146 (11)	Fe1—O4^i	2.020 (2)
Cs1B—O3^iv	3.146 (11)	Fe1—O4^xix	2.020 (2)
Cs1B—O2^v	3.17 (2)	Fe2—O1^xx	2.000 (2)
Cs1B—O2^i	3.17 (2)	Fe2—O1^viii	2.000 (2)
Cs1B—O3^v	3.273 (3)	Fe2—O1^xii	2.000 (2)
Cs1B—O3^i	3.273 (3)	Fe2—O1^i	2.000 (2)
Cs1B—O2	3.443 (2)	Fe2—O1^xix	2.000 (2)
Cs1B—O2^iv	3.443 (2)	Fe2—O1^xviii	2.000 (2)
Cs1B—O3^iii	3.561 (19)	As—O1^xxi	1.664 (2)
Cs1B—O3^ii	3.561 (19)	As—O2	1.673 (2)
Cs1B—O2^ii	3.79 (2)	As—O4^iv	1.682 (2)
Cs1B—O2^iii	3.79 (2)	As—O3	1.735 (2)
Cs1B^i—Cs1A—Cs1B^ii	120.00 (12)	O3^xii—Cs2—O4^xiii	79.60 (5)
Cs1B^i—Cs1A—O3	129.93 (4)	O3^i—Cs2—O4^xiv	155.34 (6)
Cs1B^ii—Cs1A—O3	81.03 (9)	O3^ii—Cs2—O4^xiv	126.44 (6)
Cs1B^i—Cs1A—O3^iii	60.93 (4)	O3—Cs2—O4^xiv	110.14 (6)
Cs1B^ii—Cs1A—O3^iii	81.03 (9)	O1^vii—Cs2—O4^xiv	45.20 (5)
O3—Cs1A—O3^iii	162.07 (8)	O1^viii—Cs2—O4^xiv	90.28 (5)
Cs1B^i—Cs1A—O3^iv	81.03 (4)	O1^ix—Cs2—O4^xiv	80.18 (5)
Cs1B^ii—Cs1A—O3^iv	129.92 (5)	O3^x—Cs2—O4^xiv	43.03 (5)
O3—Cs1A—O3^iv	121.85 (8)	O3^xi—Cs2—O4^xiv	79.60 (5)
O3^iii—Cs1A—O3^iv	70.87 (6)	O3^xii—Cs2—O4^xiv	44.97 (5)
Cs1B^i—Cs1A—O3^ii	81.03 (4)	O4^xiii—Cs2—O4^xiv	46.01 (6)
Cs1B^ii—Cs1A—O3^ii	60.93 (8)	O3^i—Cs2—O4^xv	126.44 (6)
O3—Cs1A—O3^ii	70.87 (6)	O3^ii—Cs2—O4^xv	110.13 (6)
O3^iii—Cs1A—O3^ii	100.15 (8)	O3—Cs2—O4^xv	155.34 (6)
O3^iv—Cs1A—O3^ii	162.07 (9)	O1^vii—Cs2—O4^xv	80.18 (5)
Cs1B^i—Cs1A—O3^v	129.92 (4)	O1^viii—Cs2—O4^xv	45.20 (5)
Cs1B^ii—Cs1A—O3^v	60.93 (8)	O1^ix—Cs2—O4^xv	90.28 (5)
O3—Cs1A—O3^v	100.15 (8)	O3^x—Cs2—O4^xv	79.60 (5)
O3^iii—Cs1A—O3^v	70.87 (7)	O3^xi—Cs2—O4^xv	44.97 (5)
O3^iv—Cs1A—O3^v	70.87 (6)	O3^xii—Cs2—O4^xv	43.03 (5)
O3^ii—Cs1A—O3^v	121.86 (8)	O4^xiii—Cs2—O4^xv	46.01 (6)
Cs1B^i—Cs1A—O3^i	60.93 (4)	O4^xiv—Cs2—O4^xv	46.01 (6)
Cs1B^ii—Cs1A—O3^i	129.92 (5)	O2^xvi—Fe1—O2^ii	90.99 (9)
O3—Cs1A—O3^i	70.87 (7)	O2^xvi—Fe1—O2^xvii	90.99 (9)
O3^iii—Cs1A—O3^i	121.86 (9)	O2^ii—Fe1—O2^xvii	90.99 (9)
O3^iv—Cs1A—O3^i	100.15 (8)	O2^xvi—Fe1—O4^xviii	91.91 (9)
O3^ii—Cs1A—O3^i	70.87 (6)	O2^ii—Fe1—O4^xviii	177.00 (9)
O3^v—Cs1A—O3^i	162.07 (8)	O2^xvii—Fe1—O4^xviii	89.76 (9)
Cs1B^i—Cs1A—O2	150.99 (4)	O2^xvi—Fe1—O4^i	89.76 (9)
Cs1B^ii—Cs1A—O2	38.24 (11)	O2^ii—Fe1—O4^i	91.91 (9)
O3—Cs1A—O2	46.67 (5)	O2^xvii—Fe1—O4^i	177.00 (10)
O3^iii—Cs1A—O2	116.19 (5)	O4^xviii—Fe1—O4^i	87.31 (9)
O3^iv—Cs1A—O2	126.83 (6)	O2^xvi—Fe1—O4^xix	177.00 (9)
O3^ii—Cs1A—O2	70.92 (6)	O2^ii—Fe1—O4^xix	89.76 (9)
O3^v—Cs1A—O2	64.13 (5)	O2^xvii—Fe1—O4^xix	91.90 (9)
O3^i—Cs1A—O2	114.12 (5)	O4^xviii—Fe1—O4^xix	87.31 (9)
Cs1B^i—Cs1A—O2^iv	38.24 (3)	O4^i—Fe1—O4^xix	87.31 (9)
Cs1B^ii—Cs1A—O2^iv	150.99 (11)	O2^xvi—Fe1—Cs1B^xviii	34.44 (8)
O3—Cs1A—O2^iv	126.84 (5)	O2^ii—Fe1—Cs1B^xviii	102.41 (18)
O3^iii—Cs1A—O2^iv	70.92 (6)	O2^xvii—Fe1—Cs1B^xviii	122.63 (15)
O3^iv—Cs1A—O2^iv	46.67 (5)	O4^xviii—Fe1—Cs1B^xviii	79.60 (16)
O3^ii—Cs1A—O2^iv	116.19 (6)	O4^i—Fe1—Cs1B^xviii	57.42 (12)
O3^v—Cs1A—O2^iv	114.12 (5)	O4^xix—Fe1—Cs1B^xviii	142.58 (9)
O3^i—Cs1A—O2^iv	64.13 (5)	O2^xvi—Fe1—Cs1B^i	122.63 (14)
O2—Cs1A—O2^iv	169.77 (7)	O2^ii—Fe1—Cs1B^i	34.44 (8)
Cs1B^i—Cs1A—O2^ii	38.24 (4)	O2^xvii—Fe1—Cs1B^i	102.40 (16)
Cs1B^ii—Cs1A—O2^ii	84.89 (12)	O4^xviii—Fe1—Cs1B^i	142.58 (8)
O3—Cs1A—O2^ii	114.12 (5)	O4^i—Fe1—Cs1B^i	79.60 (16)
O3^iii—Cs1A—O2^ii	64.13 (5)	O4^xix—Fe1—Cs1B^i	57.42 (13)
O3^iv—Cs1A—O2^ii	116.19 (6)	Cs1B^xviii—Fe1—Cs1B^i	119.829 (14)
O3^ii—Cs1A—O2^ii	46.67 (5)	O2^xvi—Fe1—Cs1B^xix	102.41 (19)
O3^v—Cs1A—O2^ii	126.83 (5)	O2^ii—Fe1—Cs1B^xix	122.63 (14)
O3^i—Cs1A—O2^ii	70.92 (6)	O2^xvii—Fe1—Cs1B^xix	34.44 (9)
O2—Cs1A—O2^ii	112.93 (3)	O4^xviii—Fe1—Cs1B^xix	57.42 (14)
O2^iv—Cs1A—O2^ii	76.48 (7)	O4^i—Fe1—Cs1B^xix	142.58 (10)
Cs1B^i—Cs1A—O2^v	150.99 (4)	O4^xix—Fe1—Cs1B^xix	79.60 (18)
Cs1B^ii—Cs1A—O2^v	84.88 (12)	Cs1B^xviii—Fe1—Cs1B^xix	119.829 (7)
O3—Cs1A—O2^v	64.13 (5)	Cs1B^i—Fe1—Cs1B^xix	119.829 (1)
O3^iii—Cs1A—O2^v	114.12 (5)	O2^xvi—Fe1—Cs1A^xviii	33.88 (6)
O3^iv—Cs1A—O2^v	70.92 (6)	O2^ii—Fe1—Cs1A^xviii	104.36 (6)
O3^ii—Cs1A—O2^v	126.83 (6)	O2^xvii—Fe1—Cs1A^xviii	121.07 (6)
O3^v—Cs1A—O2^v	46.67 (5)	O4^xviii—Fe1—Cs1A^xviii	77.70 (6)
O3^i—Cs1A—O2^v	116.19 (5)	O4^i—Fe1—Cs1A^xviii	58.87 (6)
O2—Cs1A—O2^v	58.01 (7)	O4^xix—Fe1—Cs1A^xviii	143.17 (7)
O2^iv—Cs1A—O2^v	112.93 (3)	Cs1B^xviii—Fe1—Cs1A^xviii	2.32 (19)
O2^ii—Cs1A—O2^v	169.77 (7)	Cs1B^i—Fe1—Cs1A^xviii	122.15 (17)
Cs1B^i—Cs1A—O2^iii	84.88 (4)	Cs1B^xix—Fe1—Cs1A^xviii	117.53 (18)
Cs1B^ii—Cs1A—O2^iii	38.24 (12)	O2^xvi—Fe1—Cs1A	121.07 (7)
O3—Cs1A—O2^iii	116.19 (5)	O2^ii—Fe1—Cs1A	33.88 (6)
O3^iii—Cs1A—O2^iii	46.67 (5)	O2^xvii—Fe1—Cs1A	104.36 (6)
O3^iv—Cs1A—O2^iii	114.12 (5)	O4^xviii—Fe1—Cs1A	143.17 (7)
O3^ii—Cs1A—O2^iii	64.13 (5)	O4^i—Fe1—Cs1A	77.70 (6)
O3^v—Cs1A—O2^iii	70.92 (6)	O4^xix—Fe1—Cs1A	58.87 (7)
O3^i—Cs1A—O2^iii	126.83 (6)	Cs1B^xviii—Fe1—Cs1A	117.53 (19)
O2—Cs1A—O2^iii	76.48 (7)	Cs1B^i—Fe1—Cs1A	2.32 (18)
O2^iv—Cs1A—O2^iii	112.93 (3)	Cs1B^xix—Fe1—Cs1A	122.15 (18)
O2^ii—Cs1A—O2^iii	58.01 (7)	Cs1A^xviii—Fe1—Cs1A	119.850 (1)
O2^v—Cs1A—O2^iii	112.93 (3)	O2^xvi—Fe1—Cs1A^xvii	104.36 (6)
Cs1B^i—Cs1A—O2^i	84.88 (4)	O2^ii—Fe1—Cs1A^xvii	121.07 (6)
Cs1B^ii—Cs1A—O2^i	150.99 (11)	O2^xvii—Fe1—Cs1A^xvii	33.88 (6)
O3—Cs1A—O2^i	70.92 (6)	O4^xviii—Fe1—Cs1A^xvii	58.87 (6)
O3^iii—Cs1A—O2^i	126.83 (6)	O4^i—Fe1—Cs1A^xvii	143.17 (7)
O3^iv—Cs1A—O2^i	64.13 (5)	O4^xix—Fe1—Cs1A^xvii	77.70 (6)
O3^ii—Cs1A—O2^i	114.12 (5)	Cs1B^xviii—Fe1—Cs1A^xvii	122.15 (19)
O3^v—Cs1A—O2^i	116.19 (5)	Cs1B^i—Fe1—Cs1A^xvii	117.53 (18)
O3^i—Cs1A—O2^i	46.67 (5)	Cs1B^xix—Fe1—Cs1A^xvii	2.32 (18)
O2—Cs1A—O2^i	112.93 (3)	Cs1A^xviii—Fe1—Cs1A^xvii	119.850 (1)
O2^iv—Cs1A—O2^i	58.01 (7)	Cs1A—Fe1—Cs1A^xvii	119.850 (1)
O2^ii—Cs1A—O2^i	112.93 (3)	O1^xx—Fe2—O1^viii	92.31 (9)
O2^v—Cs1A—O2^i	76.49 (7)	O1^xx—Fe2—O1^xii	92.31 (9)
O2^iii—Cs1A—O2^i	169.77 (8)	O1^viii—Fe2—O1^xii	92.31 (9)
Cs1B^i—Cs1A—As^iv	60.911 (6)	O1^xx—Fe2—O1^i	87.69 (9)
Cs1B^ii—Cs1A—As^iv	149.941 (16)	O1^viii—Fe2—O1^i	180.0
O3—Cs1A—As^iv	122.98 (4)	O1^xii—Fe2—O1^i	87.69 (9)
O3^iii—Cs1A—As^iv	74.07 (4)	O1^xx—Fe2—O1^xix	87.69 (9)
O3^iv—Cs1A—As^iv	24.08 (4)	O1^viii—Fe2—O1^xix	87.69 (9)
O3^ii—Cs1A—As^iv	139.59 (4)	O1^xii—Fe2—O1^xix	180.0
O3^v—Cs1A—As^iv	94.57 (4)	O1^i—Fe2—O1^xix	92.30 (9)
O3^i—Cs1A—As^iv	78.58 (4)	O1^xx—Fe2—O1^xviii	180.00 (11)
O2—Cs1A—As^iv	148.09 (4)	O1^viii—Fe2—O1^xviii	87.69 (9)
O2^iv—Cs1A—As^iv	23.57 (3)	O1^xii—Fe2—O1^xviii	87.69 (9)
O2^ii—Cs1A—As^iv	98.79 (3)	O1^i—Fe2—O1^xviii	92.30 (9)
O2^v—Cs1A—As^iv	90.08 (4)	O1^xix—Fe2—O1^xviii	92.30 (9)
O2^iii—Cs1A—As^iv	120.71 (4)	O1^xxi—As—O2	118.18 (11)
O2^i—Cs1A—As^iv	53.32 (4)	O1^xxi—As—O4^iv	107.48 (12)
Cs1B^i—Cs1B—Cs1B^ii	60.00 (3)	O2—As—O4^iv	114.49 (11)
Cs1B^i—Cs1B—O3	125.6 (4)	O1^xxi—As—O3	106.36 (12)
Cs1B^ii—Cs1B—O3	95.6 (4)	O2—As—O3	103.91 (12)
Cs1B^i—Cs1B—O3^iv	95.6 (4)	O4^iv—As—O3	105.30 (11)
Cs1B^ii—Cs1B—O3^iv	125.6 (4)	O1^xxi—As—Cs2^x	65.25 (8)
O3—Cs1B—O3^iv	133.7 (9)	O2—As—Cs2^x	172.01 (8)
Cs1B^i—Cs1B—O2^v	160.5 (3)	O4^iv—As—Cs2^x	69.47 (8)
Cs1B^ii—Cs1B—O2^v	109.7 (4)	O3—As—Cs2^x	68.12 (9)
O3—Cs1B—O2^v	69.3 (4)	O1^xxi—As—Cs1B^ii	140.67 (15)
O3^iv—Cs1B—O2^v	76.9 (4)	O2—As—Cs1B^ii	51.1 (4)
Cs1B^i—Cs1B—O2^i	109.7 (3)	O4^iv—As—Cs1B^ii	110.8 (2)
Cs1B^ii—Cs1B—O2^i	160.5 (2)	O3—As—Cs1B^ii	55.0 (3)
O3—Cs1B—O2^i	76.9 (4)	Cs2^x—As—Cs1B^ii	121.4 (3)
O3^iv—Cs1B—O2^i	69.3 (4)	O1^xxi—As—Cs1B	144.9 (3)
O2^v—Cs1B—O2^i	84.8 (6)	O2—As—Cs1B	59.2 (3)
Cs1B^i—Cs1B—O3^v	111.5 (4)	O4^iv—As—Cs1B	104.0 (3)
Cs1B^ii—Cs1B—O3^v	73.1 (5)	O3—As—Cs1B	49.46 (15)
O3—Cs1B—O3^v	104.5 (3)	Cs2^x—As—Cs1B	113.5 (3)
O3^iv—Cs1B—O3^v	73.42 (16)	Cs1B^ii—As—Cs1B	9.3 (7)
O2^v—Cs1B—O3^v	49.18 (17)	O1^xxi—As—Cs1A	141.74 (9)
O2^i—Cs1B—O3^v	126.1 (7)	O2—As—Cs1A	55.71 (8)
Cs1B^i—Cs1B—O3^i	73.1 (4)	O4^iv—As—Cs1A	108.45 (8)
Cs1B^ii—Cs1B—O3^i	111.5 (4)	O3—As—Cs1A	51.14 (9)
O3—Cs1B—O3^i	73.42 (16)	Cs2^x—As—Cs1A	116.829 (9)
O3^iv—Cs1B—O3^i	104.5 (3)	Cs1B^ii—As—Cs1A	4.7 (3)
O2^v—Cs1B—O3^i	126.1 (7)	Cs1B—As—Cs1A	5.0 (4)
O2^i—Cs1B—O3^i	49.19 (17)	O1^xxi—As—Cs1B^i	139.48 (17)
O3^v—Cs1B—O3^i	175.0 (9)	O2—As—Cs1B^i	56.72 (10)
Cs1B^i—Cs1B—O2	117.7 (4)	O4^iv—As—Cs1B^i	110.25 (14)
Cs1B^ii—Cs1B—O2	60.2 (5)	O3—As—Cs1B^i	49.41 (14)
O3—Cs1B—O2	47.81 (8)	Cs2^x—As—Cs1B^i	115.71 (8)
O3^iv—Cs1B—O2	133.3 (4)	Cs1B^ii—As—Cs1B^i	5.7 (4)
O2^v—Cs1B—O2	60.72 (18)	Cs1B—As—Cs1B^i	6.3 (4)
O2^i—Cs1B—O2	121.1 (6)	Cs1A—As—Cs1B^i	2.41 (16)
O3^v—Cs1B—O2	64.65 (6)	O1^xxi—As—Cs1B^xxii	90.62 (15)
O3^i—Cs1B—O2	115.45 (6)	O2—As—Cs1B^xxii	93.31 (11)
Cs1B^i—Cs1B—O2^iv	60.2 (4)	O4^iv—As—Cs1B^xxii	40.41 (8)
Cs1B^ii—Cs1B—O2^iv	117.7 (4)	O3—As—Cs1B^xxii	145.65 (9)
O3—Cs1B—O2^iv	133.3 (4)	Cs2^x—As—Cs1B^xxii	93.87 (7)
O3^iv—Cs1B—O2^iv	47.81 (8)	Cs1B^ii—As—Cs1B^xxii	124.8 (2)
O2^v—Cs1B—O2^iv	121.1 (6)	Cs1B—As—Cs1B^xxii	123.8 (3)
O2^i—Cs1B—O2^iv	60.73 (18)	Cs1A—As—Cs1B^xxii	125.80 (13)
O3^v—Cs1B—O2^iv	115.45 (6)	Cs1B^i—As—Cs1B^xxii	128.21 (4)
O3^i—Cs1B—O2^iv	64.65 (6)	O1^xxi—As—Cs1A^xxiii	89.03 (9)
O2—Cs1B—O2^iv	177.9 (9)	O2—As—Cs1A^xxiii	94.37 (8)
Cs1B^i—Cs1B—O3^iii	45.9 (2)	O4^iv—As—Cs1A^xxiii	40.83 (8)
Cs1B^ii—Cs1B—O3^iii	58.8 (2)	O3—As—Cs1A^xxiii	146.13 (8)
O3—Cs1B—O3^iii	154.3 (6)	Cs2^x—As—Cs1A^xxiii	92.887 (9)
O3^iv—Cs1B—O3^iii	69.51 (15)	Cs1B^ii—As—Cs1A^xxiii	126.43 (9)
O2^v—Cs1B—O3^iii	114.90 (5)	Cs1B—As—Cs1A^xxiii	125.45 (16)
O2^i—Cs1B—O3^iii	127.91 (6)	Cs1A—As—Cs1A^xxiii	127.427 (14)
O3^v—Cs1B—O3^iii	68.2 (2)	Cs1B^i—As—Cs1A^xxiii	129.84 (17)
O3^i—Cs1B—O3^iii	115.7 (5)	Cs1B^xxii—As—Cs1A^xxiii	1.62 (13)
O2—Cs1B—O3^iii	110.2 (5)	O1^xxi—As—Cs1B^xxiv	87.23 (18)
O2^iv—Cs1B—O3^iii	68.2 (2)	O2—As—Cs1B^xxiv	92.59 (17)
Cs1B^i—Cs1B—O3^ii	58.8 (3)	O4^iv—As—Cs1B^xxiv	44.3 (3)
Cs1B^ii—Cs1B—O3^ii	45.9 (2)	O3—As—Cs1B^xxiv	149.6 (3)
O3—Cs1B—O3^ii	69.51 (15)	Cs2^x—As—Cs1B^xxiv	94.83 (15)
O3^iv—Cs1B—O3^ii	154.3 (6)	Cs1B^ii—As—Cs1B^xxiv	127.13 (7)
O2^v—Cs1B—O3^ii	127.91 (6)	Cs1B—As—Cs1B^xxiv	126.83 (5)
O2^i—Cs1B—O3^ii	114.90 (5)	Cs1A—As—Cs1B^xxiv	128.47 (7)
O3^v—Cs1B—O3^ii	115.7 (5)	Cs1B^i—As—Cs1B^xxiv	130.9 (2)
O3^i—Cs1B—O3^ii	68.2 (2)	Cs1B^xxii—As—Cs1B^xxiv	4.3 (3)
O2—Cs1B—O3^ii	68.2 (2)	Cs1A^xxiii—As—Cs1B^xxiv	3.5 (2)
O2^iv—Cs1B—O3^ii	110.2 (5)	As^xxv—O1—Fe2^xxvi	139.44 (14)
O3^iii—Cs1B—O3^ii	91.0 (6)	As^xxv—O1—Cs2^ix	88.74 (9)
Cs1B^i—Cs1B—O2^ii	16.25 (3)	Fe2^xxvi—O1—Cs2^ix	127.32 (9)
Cs1B^ii—Cs1B—O2^ii	53.62 (10)	As—O2—Fe1^xxiii	122.78 (12)
O3—Cs1B—O2^ii	109.7 (4)	As—O2—Cs1B^ii	104.6 (3)
O3^iv—Cs1B—O2^ii	111.6 (4)	Fe1^xxiii—O2—Cs1B^ii	124.8 (2)
O2^v—Cs1B—O2^ii	163.3 (5)	As—O2—Cs1B	96.1 (4)
O2^i—Cs1B—O2^ii	111.50 (15)	Fe1^xxiii—O2—Cs1B	128.80 (13)
O3^v—Cs1B—O2^ii	117.8 (6)	Cs1B^ii—O2—Cs1B	10.2 (8)
O3^i—Cs1B—O2^ii	67.2 (3)	As—O2—Cs1A	100.72 (9)
O2—Cs1B—O2^ii	105.6 (5)	Fe1^xxiii—O2—Cs1A	127.41 (9)
O2^iv—Cs1B—O2^ii	72.4 (3)	Cs1B^ii—O2—Cs1A	4.2 (3)
O3^iii—Cs1B—O2^ii	58.5 (4)	Cs1B—O2—Cs1A	6.2 (4)
O3^ii—Cs1B—O2^ii	42.7 (3)	As—O2—Cs1B^i	101.61 (10)
Cs1B^i—Cs1B—O2^iii	53.62 (18)	Fe1^xxiii—O2—Cs1B^i	128.01 (9)
Cs1B^ii—Cs1B—O2^iii	16.25 (4)	Cs1B^ii—O2—Cs1B^i	3.3 (2)
O3—Cs1B—O2^iii	111.6 (4)	Cs1B—O2—Cs1B^i	8.7 (6)
O3^iv—Cs1B—O2^iii	109.7 (4)	Cs1A—O2—Cs1B^i	2.73 (18)
O2^v—Cs1B—O2^iii	111.50 (15)	As—O3—Cs2	129.32 (12)
O2^i—Cs1B—O2^iii	163.3 (5)	As—O3—Cs1B	105.77 (13)
O3^v—Cs1B—O2^iii	67.2 (3)	Cs2—O3—Cs1B	95.2 (3)
O3^i—Cs1B—O2^iii	117.8 (6)	As—O3—Cs1B^ii	99.3 (4)
O2—Cs1B—O2^iii	72.4 (3)	Cs2—O3—Cs1B^ii	92.71 (12)
O2^iv—Cs1B—O2^iii	105.6 (5)	Cs1B—O3—Cs1B^ii	11.3 (8)
O3^iii—Cs1B—O2^iii	42.7 (3)	As—O3—Cs1A	104.78 (10)
O3^ii—Cs1B—O2^iii	58.5 (4)	Cs2—O3—Cs1A	91.59 (6)
O2^ii—Cs1B—O2^iii	52.5 (4)	Cs1B—O3—Cs1A	5.9 (4)
Cs1B^i—Cs1B—O4^vi	132.02 (14)	Cs1B^ii—O3—Cs1A	6.5 (5)
Cs1B^ii—Cs1B—O4^vi	153.77 (10)	As—O3—Cs2^x	84.78 (9)
O3—Cs1B—O4^vi	92.1 (6)	Cs2—O3—Cs2^x	96.28 (7)
O3^iv—Cs1B—O4^vi	41.6 (3)	Cs1B—O3—Cs2^x	153.7 (4)
O2^v—Cs1B—O4^vi	50.5 (4)	Cs1B^ii—O3—Cs2^x	164.5 (3)
O2^i—Cs1B—O4^vi	45.6 (3)	Cs1A—O3—Cs2^x	159.43 (8)
O3^v—Cs1B—O4^vi	80.7 (4)	As—O3—Cs1B^i	108.9 (3)
O3^i—Cs1B—O4^vi	94.7 (5)	Cs2—O3—Cs1B^i	87.3 (3)
O2—Cs1B—O4^vi	109.5 (5)	Cs1B—O3—Cs1B^i	8.5 (6)
O2^iv—Cs1B—O4^vi	72.5 (3)	Cs1B^ii—O3—Cs1B^i	9.7 (7)
O3^iii—Cs1B—O4^vi	110.15 (15)	Cs1A—O3—Cs1B^i	4.6 (3)
O3^ii—Cs1B—O4^vi	157.5 (4)	Cs2^x—O3—Cs1B^i	159.01 (10)
O2^ii—Cs1B—O4^vi	144.76 (5)	As^iv—O4—Fe1^xxvi	130.15 (12)
O2^iii—Cs1B—O4^vi	143.62 (5)	As^iv—O4—Cs2^xxvii	84.35 (8)
O3^i—Cs2—O3^ii	77.65 (8)	Fe1^xxvi—O4—Cs2^xxvii	100.32 (8)
O3^i—Cs2—O3	77.65 (8)	As^iv—O4—Cs1B^xxviii	123.40 (14)
O3^ii—Cs2—O3	77.65 (8)	Fe1^xxvi—O4—Cs1B^xxviii	96.76 (8)
O3^i—Cs2—O1^vii	153.22 (6)	Cs2^xxvii—O4—Cs1B^xxviii	120.82 (18)
O3^ii—Cs2—O1^vii	91.03 (6)	As^iv—O4—Cs1A^xxv	124.17 (10)
O3—Cs2—O1^vii	76.24 (6)	Fe1^xxvi—O4—Cs1A^xxv	97.11 (7)
O3^i—Cs2—O1^viii	91.03 (6)	Cs2^xxvii—O4—Cs1A^xxv	118.69 (5)
O3^ii—Cs2—O1^viii	76.24 (6)	Cs1B^xxviii—O4—Cs1A^xxv	2.14 (17)
O3—Cs2—O1^viii	153.22 (6)	As^iv—O4—Cs1B^xxv	128.6 (4)
O1^vii—Cs2—O1^viii	109.97 (3)	Fe1^xxvi—O4—Cs1B^xxv	94.0 (2)
O3^i—Cs2—O1^ix	76.24 (6)	Cs2^xxvii—O4—Cs1B^xxv	116.0 (2)
O3^ii—Cs2—O1^ix	153.22 (6)	Cs1B^xxviii—O4—Cs1B^xxv	6.3 (5)
O3—Cs2—O1^ix	91.03 (6)	Cs1A^xxv—O4—Cs1B^xxv	4.7 (3)
O1^vii—Cs2—O1^ix	109.97 (4)	As^iv—O4—Cs1B^xxix	120.5 (3)
O1^viii—Cs2—O1^ix	109.97 (4)	Fe1^xxvi—O4—Cs1B^xxix	100.4 (2)
O3^i—Cs2—O3^x	118.50 (9)	Cs2^xxvii—O4—Cs1B^xxix	119.29 (6)
O3^ii—Cs2—O3^x	152.10 (8)	Cs1B^xxviii—O4—Cs1B^xxix	3.6 (3)
O3—Cs2—O3^x	83.72 (7)	Cs1A^xxv—O4—Cs1B^xxix	3.6 (2)
O1^vii—Cs2—O3^x	64.23 (6)	Cs1B^xxv—O4—Cs1B^xxix	8.2 (6)
O1^viii—Cs2—O3^x	122.77 (5)	As^iv—O4—Cs1B	55.6 (2)
O1^ix—Cs2—O3^x	45.87 (6)	Fe1^xxvi—O4—Cs1B	75.3 (3)
O3^i—Cs2—O3^xi	83.72 (7)	Cs2^xxvii—O4—Cs1B	103.19 (9)
O3^ii—Cs2—O3^xi	118.50 (9)	Cs1B^xxviii—O4—Cs1B	135.97 (10)
O3—Cs2—O3^xi	152.10 (8)	Cs1A^xxv—O4—Cs1B	138.11 (10)
O1^vii—Cs2—O3^xi	122.77 (5)	Cs1B^xxv—O4—Cs1B	140.7 (2)
O1^viii—Cs2—O3^xi	45.86 (6)	Cs1B^xxix—O4—Cs1B	137.21 (6)
O1^ix—Cs2—O3^xi	64.23 (6)	As^iv—O4—Cs1B^i	50.06 (19)
O3^x—Cs2—O3^xi	87.21 (6)	Fe1^xxvi—O4—Cs1B^i	81.8 (3)
O3^i—Cs2—O3^xii	152.10 (8)	Cs2^xxvii—O4—Cs1B^i	106.35 (19)
O3^ii—Cs2—O3^xii	83.72 (7)	Cs1B^xxviii—O4—Cs1B^i	132.1 (4)
O3—Cs2—O3^xii	118.50 (9)	Cs1A^xxv—O4—Cs1B^i	134.2 (2)
O1^vii—Cs2—O3^xii	45.86 (6)	Cs1B^xxv—O4—Cs1B^i	137.44 (5)
O1^viii—Cs2—O3^xii	64.23 (6)	Cs1B^xxix—O4—Cs1B^i	132.8 (4)
O1^ix—Cs2—O3^xii	122.77 (5)	Cs1B—O4—Cs1B^i	7.7 (6)
O3^x—Cs2—O3^xii	87.21 (6)	As^iv—O4—Cs1A	52.58 (6)
O3^xi—Cs2—O3^xii	87.21 (6)	Fe1^xxvi—O4—Cs1A	78.59 (6)
O3^i—Cs2—O4^xiii	110.13 (6)	Cs2^xxvii—O4—Cs1A	104.06 (5)
O3^ii—Cs2—O4^xiii	155.33 (6)	Cs1B^xxviii—O4—Cs1A	134.86 (18)
O3—Cs2—O4^xiii	126.44 (6)	Cs1A^xxv—O4—Cs1A	137.01 (5)
O1^vii—Cs2—O4^xiii	90.28 (5)	Cs1B^xxv—O4—Cs1A	139.9 (2)
O1^viii—Cs2—O4^xiii	80.18 (5)	Cs1B^xxix—O4—Cs1A	135.81 (10)
O1^ix—Cs2—O4^xiii	45.20 (5)	Cs1B—O4—Cs1A	3.5 (3)
O3^x—Cs2—O4^xiii	44.97 (5)	Cs1B^i—O4—Cs1A	4.2 (3)
O3^xi—Cs2—O4^xiii	43.03 (5)

Symmetry codes: (i) −y, x−y, z; (ii) −x+y, −x, z; (iii) x−y, −y, −z+3/2; (iv) −x, −x+y, −z+3/2; (v) y, x, −z+3/2; (vi) −y, x−y−1, z; (vii) x−y−4/3, x−2/3, −z+4/3; (viii) y+2/3, −x+y+4/3, −z+4/3; (ix) −x+2/3, −y−2/3, −z+4/3; (x) −x−1/3, −y−2/3, −z+4/3; (xi) y+2/3, −x+y+1/3, −z+4/3; (xii) x−y−1/3, x+1/3, −z+4/3; (xiii) x−1/3, x−y−2/3, z−1/6; (xiv) −y−1/3, −x+1/3, z−1/6; (xv) −x+y+2/3, y+1/3, z−1/6; (xvi) −y, x−y+1, z; (xvii) x+1, y+1, z; (xviii) x, y+1, z; (xix) −x+y+1, −x+1, z; (xx) −x+2/3, −y+1/3, −z+4/3; (xxi) x−1, y, z; (xxii) −y−1, x−y−1, z; (xxiii) x−1, y−1, z; (xxiv) −x+y−1, −x−1, z; (xxv) x+1, y, z; (xxvi) x, y−1, z; (xxvii) −y+1/3, −x−1/3, z+1/6; (xxviii) −x+y+1, −x, z; (xxix) −y+1, x−y, z.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H···O4^xxx	0.83 (3)	1.80 (3)	2.605 (3)	163 (5)

Symmetry code: (xxx) y, x−1, −z+3/2.

Caesium iron bis[hydrogen arsenate(V)] (csfer32)

Crystal data

CsFe(HAsO4)2	Dx = 4.042 Mg m^−3
Mr = 468.62	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R32:H	Cell parameters from 1405 reflections
a = 8.531 (1) Å	θ = 3.1–32.6°
c = 27.489 (5) Å	µ = 15.15 mm^−1
V = 1732.6 (5) Å^3	T = 293 K
Z = 9	Small pseudooctahedra, colourless
F(000) = 1917	0.05 × 0.05 × 0.05 mm

Data collection

Nonius KappaCCD single-crystal four-circle diffractometer	1348 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.014
φ and ω scans	θmax = 32.6°, θmin = 3.1°
Absorption correction: multi-scan (SCALEPACK; Otwinowski et al., 2003)	h = −12→12
Tmin = 0.518, Tmax = 0.518	k = −10→10
2802 measured reflections	l = −41→41
1408 independent reflections

Refinement

Refinement on F^2	Hydrogen site location: difference Fourier map
Least-squares matrix: full	All H-atom parameters refined
R[F^2 > 2σ(F^2)] = 0.022	w = 1/[σ^2(Fo^2) + (0.0231P)^2 + 7.909P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.051	(Δ/σ)max < 0.001
S = 1.13	Δρmax = 2.09 e Å^−3
1408 reflections	Δρmin = −1.23 e Å^−3
62 parameters	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
1 restraint	Extinction coefficient: 0.00065 (6)
Primary atom site location: structure-invariant direct methods	Absolute structure: Refined as an inversion twin.
Secondary atom site location: difference Fourier map	Absolute structure parameter: 0.44 (2)

Special details

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. Refined as a 2-component inversion twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Cs1	0.666667	0.333333	−0.00110 (2)	0.02276 (13)
Cs2	0.333333	0.666667	0.166667	0.03042 (19)
Fe1	0.666667	0.333333	0.15976 (3)	0.00790 (18)
Fe2	1.000000	1.000000	0.000000	0.0079 (2)
As	0.92760 (6)	0.70139 (6)	0.09195 (2)	0.00961 (11)
O1	0.8827 (5)	0.7753 (5)	0.04075 (10)	0.0174 (6)
O2	1.0687 (4)	0.8524 (4)	0.13219 (11)	0.0126 (6)
O3	0.7274 (4)	0.5450 (5)	0.11563 (11)	0.0120 (6)
O4	1.0357 (5)	0.5831 (4)	0.07521 (13)	0.0171 (6)
H	0.974 (7)	0.486 (7)	0.088 (2)	0.018 (14)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cs1	0.02664 (18)	0.02664 (18)	0.0150 (2)	0.01332 (9)	0.000	0.000
Cs2	0.0350 (3)	0.0350 (3)	0.0212 (4)	0.01751 (14)	0.000	0.000
Fe1	0.0083 (3)	0.0083 (3)	0.0071 (4)	0.00414 (13)	0.000	0.000
Fe2	0.0089 (4)	0.0089 (4)	0.0060 (5)	0.00445 (18)	0.000	0.000
As	0.01069 (19)	0.00813 (18)	0.00815 (17)	0.00332 (15)	0.00062 (14)	0.00025 (14)
O1	0.0217 (17)	0.0137 (15)	0.0107 (12)	0.0043 (14)	−0.0005 (13)	0.0046 (11)
O2	0.0137 (14)	0.0117 (13)	0.0119 (13)	0.0060 (11)	−0.0029 (11)	−0.0042 (11)
O3	0.0098 (13)	0.0108 (13)	0.0129 (13)	0.0034 (11)	0.0006 (10)	0.0043 (11)
O4	0.0162 (14)	0.0087 (14)	0.0245 (15)	0.0049 (12)	0.0083 (13)	0.0021 (12)

Geometric parameters (Å, º)

Cs1—O4^i	3.049 (3)	Cs2—O2^ix	3.476 (3)
Cs1—O4^ii	3.049 (3)	Cs2—O2^x	3.476 (3)
Cs1—O4^iii	3.049 (3)	Cs2—As^vi	4.1608 (6)
Cs1—O1^iv	3.462 (3)	Cs2—As^vii	4.1608 (6)
Cs1—O1^v	3.462 (3)	Cs2—As^viii	4.1608 (6)
Cs1—O1	3.462 (3)	Cs2—As^v	4.1608 (6)
Cs1—O4	3.485 (4)	Cs2—H^vi	3.42 (6)
Cs1—O4^iv	3.485 (4)	Cs2—H^v	3.42 (6)
Cs1—O4^v	3.485 (4)	Cs2—H^vii	3.42 (6)
Cs1—O3^iv	3.590 (3)	Cs2—H^viii	3.42 (6)
Cs1—O3	3.590 (3)	Cs2—H^x	3.42 (6)
Cs1—O3^v	3.590 (3)	Cs2—H^ix	3.42 (6)
Cs1—As^iv	3.7904 (7)	Fe1—O2^xi	1.990 (3)
Cs1—As^v	3.7904 (7)	Fe1—O2^xii	1.990 (3)
Cs1—As	3.7905 (7)	Fe1—O2^viii	1.990 (3)
Cs1—As^i	4.3967 (7)	Fe1—O3^v	2.016 (3)
Cs1—H	3.35 (6)	Fe1—O3^iv	2.016 (3)
Cs1—H^v	3.35 (6)	Fe1—O3	2.016 (3)
Cs1—H^iv	3.35 (6)	Fe2—O1^xiii	2.003 (3)
Cs2—O4^vi	3.386 (4)	Fe2—O1^xiv	2.003 (3)
Cs2—O4^vii	3.386 (4)	Fe2—O1^vii	2.003 (3)
Cs2—O4^v	3.386 (4)	Fe2—O1^ii	2.003 (3)
Cs2—O4^viii	3.386 (4)	Fe2—O1^xv	2.003 (3)
Cs2—O4^ix	3.386 (4)	Fe2—O1	2.003 (3)
Cs2—O4^x	3.386 (4)	As—O1	1.664 (3)
Cs2—O2^viii	3.476 (3)	As—O2	1.668 (3)
Cs2—O2^vi	3.476 (3)	As—O3	1.686 (3)
Cs2—O2^v	3.476 (3)	As—O4	1.735 (3)
Cs2—O2^vii	3.476 (3)	O4—H	0.81 (4)
O4^i—Cs1—O4^ii	80.23 (10)	O4^ix—Cs2—H^vi	166.5 (12)
O4^i—Cs1—O4^iii	80.23 (10)	O4^x—Cs2—H^vi	96.1 (11)
O4^ii—Cs1—O4^iii	80.23 (10)	O2^viii—Cs2—H^vi	118.4 (11)
O4^i—Cs1—O1^iv	74.89 (8)	O2^vi—Cs2—H^vi	52.7 (11)
O4^ii—Cs1—O1^iv	91.27 (9)	O2^v—Cs2—H^vi	61.3 (10)
O4^iii—Cs1—O1^iv	154.75 (9)	O2^vii—Cs2—H^vi	124.9 (9)
O4^i—Cs1—O1^v	91.27 (9)	O2^ix—Cs2—H^vi	127.6 (10)
O4^ii—Cs1—O1^v	154.75 (9)	O2^x—Cs2—H^vi	55.1 (10)
O4^iii—Cs1—O1^v	74.89 (8)	As^vi—Cs2—H^vi	29.6 (11)
O1^iv—Cs1—O1^v	109.54 (5)	As^vii—Cs2—H^vi	107.3 (8)
O4^i—Cs1—O1	154.75 (9)	As^viii—Cs2—H^vi	110.9 (9)
O4^ii—Cs1—O1	74.89 (8)	As^v—Cs2—H^vi	68.8 (12)
O4^iii—Cs1—O1	91.27 (9)	O4^vi—Cs2—H^v	84.1 (7)
O1^iv—Cs1—O1	109.54 (5)	O4^vii—Cs2—H^v	70.9 (12)
O1^v—Cs1—O1	109.54 (5)	O4^v—Cs2—H^v	13.7 (7)
O4^i—Cs1—O4	132.46 (5)	O4^viii—Cs2—H^v	96.1 (11)
O4^ii—Cs1—O4	78.98 (10)	O4^ix—Cs2—H^v	108.9 (8)
O4^iii—Cs1—O4	136.29 (4)	O4^x—Cs2—H^v	166.5 (12)
O1^iv—Cs1—O4	63.40 (8)	O2^viii—Cs2—H^v	55.1 (10)
O1^v—Cs1—O4	122.67 (8)	O2^vi—Cs2—H^v	124.9 (9)
O1—Cs1—O4	46.21 (8)	O2^v—Cs2—H^v	52.7 (11)
O4^i—Cs1—O4^iv	78.98 (10)	O2^vii—Cs2—H^v	61.3 (10)
O4^ii—Cs1—O4^iv	136.29 (4)	O2^ix—Cs2—H^v	118.4 (11)
O4^iii—Cs1—O4^iv	132.46 (5)	O2^x—Cs2—H^v	127.6 (10)
O1^iv—Cs1—O4^iv	46.21 (8)	As^vi—Cs2—H^v	107.3 (8)
O1^v—Cs1—O4^iv	63.40 (8)	As^vii—Cs2—H^v	68.8 (12)
O1—Cs1—O4^iv	122.67 (8)	As^viii—Cs2—H^v	72.8 (11)
O4—Cs1—O4^iv	87.51 (8)	As^v—Cs2—H^v	29.6 (11)
O4^i—Cs1—O4^v	136.29 (4)	H^vi—Cs2—H^v	84.5 (14)
O4^ii—Cs1—O4^v	132.46 (5)	O4^vi—Cs2—H^vii	70.9 (12)
O4^iii—Cs1—O4^v	78.98 (10)	O4^vii—Cs2—H^vii	13.7 (7)
O1^iv—Cs1—O4^v	122.67 (8)	O4^v—Cs2—H^vii	84.1 (7)
O1^v—Cs1—O4^v	46.21 (8)	O4^viii—Cs2—H^vii	166.5 (12)
O1—Cs1—O4^v	63.39 (8)	O4^ix—Cs2—H^vii	96.1 (11)
O4—Cs1—O4^v	87.51 (8)	O4^x—Cs2—H^vii	108.9 (8)
O4^iv—Cs1—O4^v	87.50 (8)	O2^viii—Cs2—H^vii	127.6 (10)
O4^i—Cs1—O3^iv	115.36 (8)	O2^vi—Cs2—H^vii	61.3 (10)
O4^ii—Cs1—O3^iv	115.61 (8)	O2^v—Cs2—H^vii	124.9 (9)
O4^iii—Cs1—O3^iv	158.58 (8)	O2^vii—Cs2—H^vii	52.7 (11)
O1^iv—Cs1—O3^iv	44.84 (7)	O2^ix—Cs2—H^vii	55.1 (10)
O1^v—Cs1—O3^iv	89.54 (7)	O2^x—Cs2—H^vii	118.4 (11)
O1—Cs1—O3^iv	79.99 (7)	As^vi—Cs2—H^vii	68.8 (12)
O4—Cs1—O3^iv	43.17 (7)	As^vii—Cs2—H^vii	29.6 (11)
O4^iv—Cs1—O3^iv	45.20 (7)	As^viii—Cs2—H^vii	150.7 (10)
O4^v—Cs1—O3^iv	79.63 (8)	As^v—Cs2—H^vii	107.3 (8)
O4^i—Cs1—O3	158.58 (8)	H^vi—Cs2—H^vii	84.5 (14)
O4^ii—Cs1—O3	115.36 (8)	H^v—Cs2—H^vii	84.5 (14)
O4^iii—Cs1—O3	115.61 (8)	O4^vi—Cs2—H^viii	108.9 (8)
O1^iv—Cs1—O3	89.54 (7)	O4^vii—Cs2—H^viii	166.5 (12)
O1^v—Cs1—O3	80.00 (7)	O4^v—Cs2—H^viii	96.1 (11)
O1—Cs1—O3	44.84 (7)	O4^viii—Cs2—H^viii	13.7 (7)
O4—Cs1—O3	45.20 (7)	O4^ix—Cs2—H^viii	84.1 (7)
O4^iv—Cs1—O3	79.63 (8)	O4^x—Cs2—H^viii	70.9 (12)
O4^v—Cs1—O3	43.17 (7)	O2^viii—Cs2—H^viii	52.7 (11)
O3^iv—Cs1—O3	45.73 (9)	O2^vi—Cs2—H^viii	118.4 (11)
O4^i—Cs1—O3^v	115.61 (8)	O2^v—Cs2—H^viii	55.1 (10)
O4^ii—Cs1—O3^v	158.58 (8)	O2^vii—Cs2—H^viii	127.6 (10)
O4^iii—Cs1—O3^v	115.36 (8)	O2^ix—Cs2—H^viii	124.9 (9)
O1^iv—Cs1—O3^v	80.00 (7)	O2^x—Cs2—H^viii	61.3 (10)
O1^v—Cs1—O3^v	44.84 (7)	As^vi—Cs2—H^viii	110.9 (9)
O1—Cs1—O3^v	89.54 (7)	As^vii—Cs2—H^viii	150.7 (10)
O4—Cs1—O3^v	79.63 (8)	As^viii—Cs2—H^viii	29.6 (11)
O4^iv—Cs1—O3^v	43.17 (7)	As^v—Cs2—H^viii	72.8 (11)
O4^v—Cs1—O3^v	45.20 (7)	H^vi—Cs2—H^viii	95.2 (15)
O3^iv—Cs1—O3^v	45.73 (9)	H^v—Cs2—H^viii	96 (2)
O3—Cs1—O3^v	45.73 (9)	H^vii—Cs2—H^viii	180 (2)
O4^i—Cs1—As^iv	89.22 (7)	O4^vi—Cs2—H^x	96.1 (11)
O4^ii—Cs1—As^iv	115.44 (6)	O4^vii—Cs2—H^x	108.9 (8)
O4^iii—Cs1—As^iv	159.51 (6)	O4^v—Cs2—H^x	166.5 (12)
O1^iv—Cs1—As^iv	26.02 (5)	O4^viii—Cs2—H^x	84.1 (7)
O1^v—Cs1—As^iv	87.94 (6)	O4^ix—Cs2—H^x	70.9 (12)
O1—Cs1—As^iv	105.19 (6)	O4^x—Cs2—H^x	13.7 (7)
O4—Cs1—As^iv	62.84 (6)	O2^viii—Cs2—H^x	124.9 (9)
O4^iv—Cs1—As^iv	27.18 (6)	O2^vi—Cs2—H^x	55.1 (10)
O4^v—Cs1—As^iv	97.32 (6)	O2^v—Cs2—H^x	127.6 (10)
O3^iv—Cs1—As^iv	26.22 (5)	O2^vii—Cs2—H^x	118.4 (11)
O3—Cs1—As^iv	71.08 (5)	O2^ix—Cs2—H^x	61.3 (10)
O3^v—Cs1—As^iv	53.99 (5)	O2^x—Cs2—H^x	52.7 (11)
O4^i—Cs1—As^v	115.44 (6)	As^vi—Cs2—H^x	72.8 (11)
O4^ii—Cs1—As^v	159.51 (6)	As^vii—Cs2—H^x	110.9 (9)
O4^iii—Cs1—As^v	89.22 (7)	As^viii—Cs2—H^x	107.3 (8)
O1^iv—Cs1—As^v	105.19 (6)	As^v—Cs2—H^x	150.7 (10)
O1^v—Cs1—As^v	26.02 (5)	H^vi—Cs2—H^x	96 (2)
O1—Cs1—As^v	87.94 (6)	H^v—Cs2—H^x	180 (2)
O4—Cs1—As^v	97.32 (6)	H^vii—Cs2—H^x	95.2 (15)
O4^iv—Cs1—As^v	62.84 (6)	H^viii—Cs2—H^x	84.5 (14)
O4^v—Cs1—As^v	27.18 (6)	O4^vi—Cs2—H^ix	166.5 (12)
O3^iv—Cs1—As^v	71.08 (5)	O4^vii—Cs2—H^ix	96.1 (11)
O3—Cs1—As^v	53.99 (5)	O4^v—Cs2—H^ix	108.9 (8)
O3^v—Cs1—As^v	26.22 (5)	O4^viii—Cs2—H^ix	70.9 (12)
As^iv—Cs1—As^v	79.453 (16)	O4^ix—Cs2—H^ix	13.7 (7)
O4^i—Cs1—As	159.51 (6)	O4^x—Cs2—H^ix	84.1 (7)
O4^ii—Cs1—As	89.23 (7)	O2^viii—Cs2—H^ix	61.3 (10)
O4^iii—Cs1—As	115.44 (6)	O2^vi—Cs2—H^ix	127.6 (10)
O1^iv—Cs1—As	87.94 (6)	O2^v—Cs2—H^ix	118.4 (11)
O1^v—Cs1—As	105.19 (6)	O2^vii—Cs2—H^ix	55.1 (10)
O1—Cs1—As	26.02 (5)	O2^ix—Cs2—H^ix	52.7 (11)
O4—Cs1—As	27.19 (6)	O2^x—Cs2—H^ix	124.9 (9)
O4^iv—Cs1—As	97.32 (6)	As^vi—Cs2—H^ix	150.7 (10)
O4^v—Cs1—As	62.84 (6)	As^vii—Cs2—H^ix	72.8 (11)
O3^iv—Cs1—As	53.99 (5)	As^viii—Cs2—H^ix	68.8 (12)
O3—Cs1—As	26.22 (5)	As^v—Cs2—H^ix	110.9 (9)
O3^v—Cs1—As	71.08 (5)	H^vi—Cs2—H^ix	180 (2)
As^iv—Cs1—As	79.452 (15)	H^v—Cs2—H^ix	95.2 (15)
As^v—Cs1—As	79.452 (15)	H^vii—Cs2—H^ix	96 (2)
O4^i—Cs1—As^i	17.17 (6)	H^viii—Cs2—H^ix	84.5 (14)
O4^ii—Cs1—As^i	74.23 (6)	H^x—Cs2—H^ix	84.5 (14)
O4^iii—Cs1—As^i	95.08 (7)	O2^xi—Fe1—O2^xii	90.57 (13)
O1^iv—Cs1—As^i	59.68 (5)	O2^xi—Fe1—O2^viii	90.57 (13)
O1^v—Cs1—As^i	103.51 (6)	O2^xii—Fe1—O2^viii	90.57 (13)
O1—Cs1—As^i	146.87 (6)	O2^xi—Fe1—O3^v	89.84 (13)
O4—Cs1—As^i	115.30 (6)	O2^xii—Fe1—O3^v	177.36 (13)
O4^iv—Cs1—As^i	74.63 (6)	O2^viii—Fe1—O3^v	92.03 (12)
O4^v—Cs1—As^i	149.71 (5)	O2^xi—Fe1—O3^iv	92.04 (12)
O3^iv—Cs1—As^i	102.93 (5)	O2^xii—Fe1—O3^iv	89.84 (13)
O3—Cs1—As^i	148.66 (5)	O2^viii—Fe1—O3^iv	177.36 (13)
O3^v—Cs1—As^i	116.43 (5)	O3^v—Fe1—O3^iv	87.54 (14)
As^iv—Cs1—As^i	77.879 (15)	O2^xi—Fe1—O3	177.36 (13)
As^v—Cs1—As^i	124.560 (10)	O2^xii—Fe1—O3	92.03 (12)
As—Cs1—As^i	142.432 (8)	O2^viii—Fe1—O3	89.84 (13)
O4^i—Cs1—H	128.8 (12)	O3^v—Fe1—O3	87.54 (14)
O4^ii—Cs1—H	90.1 (9)	O3^iv—Fe1—O3	87.54 (14)
O4^iii—Cs1—H	147.6 (10)	O2^xi—Fe1—Cs1	124.86 (9)
O1^iv—Cs1—H	55.0 (11)	O2^xii—Fe1—Cs1	124.86 (9)
O1^v—Cs1—H	113.3 (9)	O2^viii—Fe1—Cs1	124.86 (9)
O1—Cs1—H	56.3 (10)	O3^v—Fe1—Cs1	53.01 (10)
O4—Cs1—H	13.5 (7)	O3^iv—Fe1—Cs1	53.01 (10)
O4^iv—Cs1—H	74.2 (8)	O3—Fe1—Cs1	53.01 (10)
O4^v—Cs1—H	85.3 (12)	O2^xi—Fe1—Cs2	121.70 (9)
O3^iv—Cs1—H	29.7 (7)	O2^xii—Fe1—Cs2	103.47 (9)
O3—Cs1—H	42.2 (12)	O2^viii—Fe1—Cs2	34.48 (9)
O3^v—Cs1—H	68.8 (9)	O3^v—Fe1—Cs2	78.51 (8)
As^iv—Cs1—H	50.2 (9)	O3^iv—Fe1—Cs2	142.96 (9)
As^v—Cs1—H	89.5 (10)	O3—Fe1—Cs2	58.03 (9)
As—Cs1—H	32.9 (11)	Cs1—Fe1—Cs2	92.207 (11)
As^i—Cs1—H	112.1 (12)	O2^xi—Fe1—Cs2^xvi	103.47 (9)
O4^i—Cs1—H^v	147.6 (10)	O2^xii—Fe1—Cs2^xvi	34.48 (9)
O4^ii—Cs1—H^v	128.8 (12)	O2^viii—Fe1—Cs2^xvi	121.70 (9)
O4^iii—Cs1—H^v	90.1 (9)	O3^v—Fe1—Cs2^xvi	142.96 (9)
O1^iv—Cs1—H^v	113.3 (9)	O3^iv—Fe1—Cs2^xvi	58.03 (9)
O1^v—Cs1—H^v	56.3 (10)	O3—Fe1—Cs2^xvi	78.51 (8)
O1—Cs1—H^v	55.0 (11)	Cs1—Fe1—Cs2^xvi	92.206 (11)
O4—Cs1—H^v	74.2 (8)	Cs2—Fe1—Cs2^xvi	119.853 (2)
O4^iv—Cs1—H^v	85.3 (12)	O2^xi—Fe1—Cs2^xvii	34.48 (9)
O4^v—Cs1—H^v	13.5 (7)	O2^xii—Fe1—Cs2^xvii	121.70 (9)
O3^iv—Cs1—H^v	68.8 (9)	O2^viii—Fe1—Cs2^xvii	103.47 (9)
O3—Cs1—H^v	29.7 (7)	O3^v—Fe1—Cs2^xvii	58.03 (9)
O3^v—Cs1—H^v	42.2 (12)	O3^iv—Fe1—Cs2^xvii	78.51 (8)
As^iv—Cs1—H^v	89.5 (10)	O3—Fe1—Cs2^xvii	142.96 (10)
As^v—Cs1—H^v	32.9 (11)	Cs1—Fe1—Cs2^xvii	92.206 (11)
As—Cs1—H^v	50.2 (9)	Cs2—Fe1—Cs2^xvii	119.853 (2)
As^i—Cs1—H^v	157.0 (12)	Cs2^xvi—Fe1—Cs2^xvii	119.852 (2)
H—Cs1—H^v	72.0 (15)	O1^xiii—Fe2—O1^xiv	177.6 (2)
O4^i—Cs1—H^iv	90.1 (9)	O1^xiii—Fe2—O1^vii	90.0 (2)
O4^ii—Cs1—H^iv	147.6 (10)	O1^xiv—Fe2—O1^vii	91.77 (12)
O4^iii—Cs1—H^iv	128.8 (12)	O1^xiii—Fe2—O1^ii	91.77 (12)
O1^iv—Cs1—H^iv	56.3 (10)	O1^xiv—Fe2—O1^ii	86.5 (2)
O1^v—Cs1—H^iv	55.0 (11)	O1^vii—Fe2—O1^ii	177.6 (2)
O1—Cs1—H^iv	113.3 (9)	O1^xiii—Fe2—O1^xv	91.77 (12)
O4—Cs1—H^iv	85.3 (12)	O1^xiv—Fe2—O1^xv	90.0 (2)
O4^iv—Cs1—H^iv	13.5 (7)	O1^vii—Fe2—O1^xv	86.5 (2)
O4^v—Cs1—H^iv	74.2 (8)	O1^ii—Fe2—O1^xv	91.77 (12)
O3^iv—Cs1—H^iv	42.2 (12)	O1^xiii—Fe2—O1	86.5 (2)
O3—Cs1—H^iv	68.8 (9)	O1^xiv—Fe2—O1	91.77 (12)
O3^v—Cs1—H^iv	29.7 (7)	O1^vii—Fe2—O1	91.77 (12)
As^iv—Cs1—H^iv	32.9 (11)	O1^ii—Fe2—O1	90.0 (2)
As^v—Cs1—H^iv	50.2 (9)	O1^xv—Fe2—O1	177.6 (2)
As—Cs1—H^iv	89.5 (10)	O1^xiii—Fe2—Cs1^xviii	145.62 (9)
As^i—Cs1—H^iv	87.5 (8)	O1^xiv—Fe2—Cs1^xviii	34.38 (9)
H—Cs1—H^iv	72.0 (15)	O1^vii—Fe2—Cs1^xviii	113.54 (12)
H^v—Cs1—H^iv	72.0 (15)	O1^ii—Fe2—Cs1^xviii	64.14 (12)
O4^vi—Cs2—O4^vii	70.92 (9)	O1^xv—Fe2—Cs1^xviii	66.46 (12)
O4^vi—Cs2—O4^v	70.92 (9)	O1—Fe2—Cs1^xviii	115.86 (12)
O4^vii—Cs2—O4^v	70.92 (9)	O1^xiii—Fe2—Cs1^xix	115.86 (12)
O4^vi—Cs2—O4^viii	122.60 (11)	O1^xiv—Fe2—Cs1^xix	66.46 (12)
O4^vii—Cs2—O4^viii	161.08 (11)	O1^vii—Fe2—Cs1^xix	64.14 (12)
O4^v—Cs2—O4^viii	99.73 (11)	O1^ii—Fe2—Cs1^xix	113.54 (12)
O4^vi—Cs2—O4^ix	161.08 (11)	O1^xv—Fe2—Cs1^xix	34.38 (9)
O4^vii—Cs2—O4^ix	99.73 (11)	O1—Fe2—Cs1^xix	145.62 (9)
O4^v—Cs2—O4^ix	122.60 (11)	Cs1^xviii—Fe2—Cs1^xix	60.0
O4^viii—Cs2—O4^ix	70.92 (9)	O1^xiii—Fe2—Cs1^xiii	34.38 (9)
O4^vi—Cs2—O4^x	99.73 (11)	O1^xiv—Fe2—Cs1^xiii	145.62 (9)
O4^vii—Cs2—O4^x	122.60 (11)	O1^vii—Fe2—Cs1^xiii	66.46 (12)
O4^v—Cs2—O4^x	161.08 (11)	O1^ii—Fe2—Cs1^xiii	115.86 (12)
O4^viii—Cs2—O4^x	70.92 (9)	O1^xv—Fe2—Cs1^xiii	113.54 (12)
O4^ix—Cs2—O4^x	70.92 (9)	O1—Fe2—Cs1^xiii	64.14 (12)
O4^vi—Cs2—O2^viii	127.09 (7)	Cs1^xviii—Fe2—Cs1^xiii	180.0
O4^vii—Cs2—O2^viii	116.07 (7)	Cs1^xix—Fe2—Cs1^xiii	120.0
O4^v—Cs2—O2^viii	64.21 (8)	O1^xiii—Fe2—Cs1	64.14 (12)
O4^viii—Cs2—O2^viii	45.89 (7)	O1^xiv—Fe2—Cs1	113.54 (12)
O4^ix—Cs2—O2^viii	71.66 (8)	O1^vii—Fe2—Cs1	115.86 (12)
O4^x—Cs2—O2^viii	113.78 (7)	O1^ii—Fe2—Cs1	66.46 (12)
O4^vi—Cs2—O2^vi	45.89 (7)	O1^xv—Fe2—Cs1	145.62 (9)
O4^vii—Cs2—O2^vi	71.66 (8)	O1—Fe2—Cs1	34.38 (9)
O4^v—Cs2—O2^vi	113.78 (7)	Cs1^xviii—Fe2—Cs1	120.0
O4^viii—Cs2—O2^vi	127.09 (7)	Cs1^xix—Fe2—Cs1	180.0
O4^ix—Cs2—O2^vi	116.07 (7)	Cs1^xiii—Fe2—Cs1	60.0
O4^x—Cs2—O2^vi	64.21 (8)	O1^xiii—Fe2—Cs1^xx	113.54 (12)
O2^viii—Cs2—O2^vi	168.89 (10)	O1^xiv—Fe2—Cs1^xx	64.14 (12)
O4^vi—Cs2—O2^v	71.66 (8)	O1^vii—Fe2—Cs1^xx	145.62 (9)
O4^vii—Cs2—O2^v	113.78 (7)	O1^ii—Fe2—Cs1^xx	34.38 (9)
O4^v—Cs2—O2^v	45.89 (7)	O1^xv—Fe2—Cs1^xx	115.86 (12)
O4^viii—Cs2—O2^v	64.21 (8)	O1—Fe2—Cs1^xx	66.46 (12)
O4^ix—Cs2—O2^v	127.09 (7)	Cs1^xviii—Fe2—Cs1^xx	60.0
O4^x—Cs2—O2^v	116.07 (7)	Cs1^xix—Fe2—Cs1^xx	120.0
O2^viii—Cs2—O2^v	57.35 (10)	Cs1^xiii—Fe2—Cs1^xx	120.0
O2^vi—Cs2—O2^v	112.86 (4)	Cs1—Fe2—Cs1^xx	60.0
O4^vi—Cs2—O2^vii	113.78 (7)	O1^xiii—Fe2—Cs1^xxi	66.46 (12)
O4^vii—Cs2—O2^vii	45.89 (7)	O1^xiv—Fe2—Cs1^xxi	115.86 (12)
O4^v—Cs2—O2^vii	71.66 (8)	O1^vii—Fe2—Cs1^xxi	34.38 (9)
O4^viii—Cs2—O2^vii	116.07 (7)	O1^ii—Fe2—Cs1^xxi	145.62 (9)
O4^ix—Cs2—O2^vii	64.21 (8)	O1^xv—Fe2—Cs1^xxi	64.14 (12)
O4^x—Cs2—O2^vii	127.09 (7)	O1—Fe2—Cs1^xxi	113.54 (12)
O2^viii—Cs2—O2^vii	77.37 (10)	Cs1^xviii—Fe2—Cs1^xxi	120.0
O2^vi—Cs2—O2^vii	112.86 (4)	Cs1^xix—Fe2—Cs1^xxi	60.0
O2^v—Cs2—O2^vii	112.86 (4)	Cs1^xiii—Fe2—Cs1^xxi	60.0
O4^vi—Cs2—O2^ix	116.07 (7)	Cs1—Fe2—Cs1^xxi	120.0
O4^vii—Cs2—O2^ix	64.21 (8)	Cs1^xx—Fe2—Cs1^xxi	180.0
O4^v—Cs2—O2^ix	127.09 (7)	O1—As—O2	118.85 (16)
O4^viii—Cs2—O2^ix	113.78 (7)	O1—As—O3	106.99 (16)
O4^ix—Cs2—O2^ix	45.89 (7)	O2—As—O3	114.18 (15)
O4^x—Cs2—O2^ix	71.66 (8)	O1—As—O4	106.63 (18)
O2^viii—Cs2—O2^ix	112.86 (4)	O2—As—O4	103.71 (16)
O2^vi—Cs2—O2^ix	77.37 (10)	O3—As—O4	105.36 (16)
O2^v—Cs2—O2^ix	168.89 (10)	O1—As—Cs1	65.91 (12)
O2^vii—Cs2—O2^ix	57.35 (10)	O2—As—Cs1	170.25 (11)
O4^vi—Cs2—O2^x	64.21 (8)	O3—As—Cs1	70.25 (11)
O4^vii—Cs2—O2^x	127.09 (7)	O4—As—Cs1	66.54 (12)
O4^v—Cs2—O2^x	116.07 (7)	O1—As—Cs2^xvi	143.34 (14)
O4^viii—Cs2—O2^x	71.66 (8)	O2—As—Cs2^xvi	54.74 (11)
O4^ix—Cs2—O2^x	113.78 (7)	O3—As—Cs2^xvi	107.63 (10)
O4^x—Cs2—O2^x	45.89 (7)	O4—As—Cs2^xvi	52.17 (12)
O2^viii—Cs2—O2^x	112.86 (4)	Cs1—As—Cs2^xvi	116.040 (12)
O2^vi—Cs2—O2^x	57.35 (10)	O1—As—Cs1^xx	83.30 (14)
O2^v—Cs2—O2^x	77.37 (10)	O2—As—Cs1^xx	98.06 (11)
O2^vii—Cs2—O2^x	168.89 (10)	O3—As—Cs1^xx	133.33 (12)
O2^ix—Cs2—O2^x	112.86 (4)	O4—As—Cs1^xx	31.24 (11)
O4^vi—Cs2—As^vi	23.88 (6)	Cs1—As—Cs1^xx	73.555 (10)
O4^vii—Cs2—As^vi	74.69 (6)	Cs2^xvi—As—Cs1^xx	64.190 (14)
O4^v—Cs2—As^vi	94.53 (6)	O1—As—Cs2	87.37 (14)
O4^viii—Cs2—As^vi	123.31 (6)	O2—As—Cs2	94.96 (11)
O4^ix—Cs2—As^vi	138.96 (5)	O3—As—Cs2	41.35 (11)
O4^x—Cs2—As^vi	78.23 (6)	O4—As—Cs2	146.69 (11)
O2^viii—Cs2—As^vi	147.83 (5)	Cs1—As—Cs2	93.759 (11)
O2^vi—Cs2—As^vi	23.07 (5)	Cs2^xvi—As—Cs2	127.360 (13)
O2^v—Cs2—As^vi	90.48 (5)	Cs1^xx—As—Cs2	166.517 (11)
O2^vii—Cs2—As^vi	120.52 (5)	O1—As—Cs1^xiii	42.15 (14)
O2^ix—Cs2—As^vi	99.18 (5)	O2—As—Cs1^xiii	129.04 (11)
O2^x—Cs2—As^vi	52.98 (5)	O3—As—Cs1^xiii	65.96 (10)
O4^vi—Cs2—As^vii	94.53 (6)	O4—As—Cs1^xiii	126.09 (12)
O4^vii—Cs2—As^vii	23.88 (6)	Cs1—As—Cs1^xiii	60.492 (7)
O4^v—Cs2—As^vii	74.69 (6)	Cs2^xvi—As—Cs1^xiii	173.227 (10)
O4^viii—Cs2—As^vii	138.96 (6)	Cs1^xx—As—Cs1^xiii	118.151 (17)
O4^ix—Cs2—As^vii	78.24 (6)	Cs2—As—Cs1^xiii	49.498 (11)
O4^x—Cs2—As^vii	123.31 (6)	As—O1—Fe2	137.4 (2)
O2^viii—Cs2—As^vii	99.18 (5)	As—O1—Cs1	88.07 (13)
O2^vi—Cs2—As^vii	90.48 (5)	Fe2—O1—Cs1	126.55 (12)
O2^v—Cs2—As^vii	120.52 (5)	As—O1—Cs1^xiii	123.27 (16)
O2^vii—Cs2—As^vii	23.07 (5)	Fe2—O1—Cs1^xiii	91.88 (12)
O2^ix—Cs2—As^vii	52.98 (5)	Cs1—O1—Cs1^xiii	76.08 (7)
O2^x—Cs2—As^vii	147.83 (5)	As—O1—Cs1^xx	75.24 (14)
As^vi—Cs2—As^vii	97.729 (10)	Fe2—O1—Cs1^xx	89.54 (12)
O4^vi—Cs2—As^viii	123.31 (6)	Cs1—O1—Cs1^xx	74.96 (7)
O4^vii—Cs2—As^viii	138.97 (5)	Cs1^xiii—O1—Cs1^xx	144.78 (8)
O4^v—Cs2—As^viii	78.24 (6)	As—O2—Fe1^xxii	122.72 (18)
O4^viii—Cs2—As^viii	23.88 (6)	As—O2—Cs2^xvi	102.19 (13)
O4^ix—Cs2—As^viii	74.69 (6)	Fe1^xxii—O2—Cs2^xvi	126.61 (12)
O4^x—Cs2—As^viii	94.52 (6)	As—O2—Cs1^xx	62.31 (10)
O2^viii—Cs2—As^viii	23.07 (5)	Fe1^xxii—O2—Cs1^xx	161.96 (12)
O2^vi—Cs2—As^viii	147.83 (5)	Cs2^xvi—O2—Cs1^xx	62.96 (5)
O2^v—Cs2—As^viii	52.98 (5)	As—O3—Fe1	130.24 (17)
O2^vii—Cs2—As^viii	99.18 (5)	As—O3—Cs1	83.53 (11)
O2^ix—Cs2—As^viii	120.52 (5)	Fe1—O3—Cs1	100.33 (12)
O2^x—Cs2—As^viii	90.48 (5)	As—O3—Cs2	123.36 (15)
As^vi—Cs2—As^viii	135.291 (12)	Fe1—O3—Cs2	98.08 (10)
As^vii—Cs2—As^viii	121.695 (12)	Cs1—O3—Cs2	119.21 (7)
O4^vi—Cs2—As^v	74.69 (6)	As—O3—Cs2^xvi	53.39 (9)
O4^vii—Cs2—As^v	94.53 (6)	Fe1—O3—Cs2^xvi	77.91 (8)
O4^v—Cs2—As^v	23.88 (6)	Cs1—O3—Cs2^xvi	103.43 (7)
O4^viii—Cs2—As^v	78.24 (6)	Cs2—O3—Cs2^xvi	137.05 (8)
O4^ix—Cs2—As^v	123.31 (6)	As—O3—Cs1^xiii	96.39 (11)
O4^x—Cs2—As^v	138.96 (6)	Fe1—O3—Cs1^xiii	131.01 (11)
O2^viii—Cs2—As^v	52.98 (5)	Cs1—O3—Cs1^xiii	66.72 (5)
O2^vi—Cs2—As^v	120.52 (5)	Cs2—O3—Cs1^xiii	57.72 (4)
O2^v—Cs2—As^v	23.07 (5)	Cs2^xvi—O3—Cs1^xiii	149.71 (7)
O2^vii—Cs2—As^v	90.48 (5)	As—O4—Cs1^xx	131.59 (16)
O2^ix—Cs2—As^v	147.83 (5)	As—O4—Cs2^xvi	103.95 (14)
O2^x—Cs2—As^v	99.18 (5)	Cs1^xx—O4—Cs2^xvi	89.87 (9)
As^vi—Cs2—As^v	97.729 (10)	As—O4—Cs1	86.27 (13)
As^vii—Cs2—As^v	97.729 (10)	Cs1^xx—O4—Cs1	97.64 (9)
As^viii—Cs2—As^v	59.667 (15)	Cs2^xvi—O4—Cs1	158.25 (11)
O4^vi—Cs2—H^vi	13.7 (7)	As—O4—H	102 (5)
O4^vii—Cs2—H^vi	84.1 (7)	Cs1^xx—O4—H	125 (5)
O4^v—Cs2—H^vi	70.9 (12)	Cs2^xvi—O4—H	85 (4)
O4^viii—Cs2—H^vi	108.9 (8)	Cs1—O4—H	73 (4)

Symmetry codes: (i) y, x−1, −z; (ii) −x+2, −x+y+1, −z; (iii) x−y, −y+1, −z; (iv) −x+y+1, −x+1, z; (v) −y+1, x−y, z; (vi) x−1, y, z; (vii) −x+y+1, −x+2, z; (viii) y−1/3, x−2/3, −z+1/3; (ix) −x+5/3, −x+y+4/3, −z+1/3; (x) x−y−1/3, −y+4/3, −z+1/3; (xi) −x+5/3, −x+y+1/3, −z+1/3; (xii) x−y+2/3, −y+4/3, −z+1/3; (xiii) y, x, −z; (xiv) −y+2, x−y+1, z; (xv) x−y+1, −y+2, −z; (xvi) x+1, y, z; (xvii) x, y−1, z; (xviii) x+1, y+1, z; (xix) y+1, x+1, −z; (xx) y+1, x, −z; (xxi) x, y+1, z; (xxii) y+2/3, x+1/3, −z+1/3.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O4—H···O3^iv	0.81 (4)	1.80 (4)	2.605 (4)	174 (7)

Symmetry code: (iv) −x+y+1, −x+1, z.

Rubidium dialuminium arsenic(V) hexakis[hydrogen arsenate(V)] (rbalasas)

Crystal data

RbAl2As(HAsO4)6	Dx = 3.409 Mg m^−3
Mr = 1053.92	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3c:H	Cell parameters from 2502 reflections
a = 8.410 (1) Å	θ = 2.4–32.5°
c = 50.287 (11) Å	µ = 13.81 mm^−1
V = 3080.2 (10) Å^3	T = 293 K
Z = 6	Large pseudooctahedra, colourless
F(000) = 2952	0.12 × 0.10 × 0.07 mm

Data collection

Nonius KappaCCD single-crystal four-circle diffractometer	1172 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.017
φ and ω scans	θmax = 32.5°, θmin = 2.4°
Absorption correction: multi-scan (SCALEPACK; Otwinowski et al., 2003)	h = −12→12
Tmin = 0.288, Tmax = 0.445	k = −10→10
4559 measured reflections	l = −75→75
1252 independent reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.014	All H-atom parameters refined
wR(F^2) = 0.035	w = 1/[σ^2(Fo^2) + (0.0164P)^2 + 5.9435P] where P = (Fo^2 + 2Fc^2)/3
S = 1.13	(Δ/σ)max = 0.002
1252 reflections	Δρmax = 0.58 e Å^−3
65 parameters	Δρmin = −0.55 e Å^−3
2 restraints	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00019 (2)

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Rb1A	0.000000	0.000000	0.750000	0.043 (5)	0.464 (3)
Rb1B	0.000000	−0.034 (3)	0.750000	0.0351 (11)	0.1788 (9)
Al1	0.333333	0.666667	0.75630 (2)	0.00648 (12)
As2	0.333333	0.666667	0.666667	0.00637 (7)
As1	−0.44383 (2)	−0.40730 (2)	0.71204 (2)	0.00716 (5)
O1	0.40210 (14)	−0.46816 (14)	0.68650 (2)	0.01002 (18)
O2	−0.45810 (14)	−0.27207 (14)	0.73493 (2)	0.00994 (18)
O3	−0.22591 (15)	−0.27992 (16)	0.69960 (3)	0.0181 (2)
O4	0.48346 (14)	−0.12949 (13)	0.77818 (2)	0.01016 (18)
H	−0.175 (4)	−0.337 (4)	0.7011 (5)	0.044 (8)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Rb1A	0.039 (7)	0.039 (7)	0.051 (4)	0.019 (3)	0.000	0.000
Rb1B	0.027 (3)	0.036 (3)	0.039 (3)	0.0136 (16)	0.0033 (12)	0.0016 (6)
Al1	0.00666 (18)	0.00666 (18)	0.0061 (3)	0.00333 (9)	0.000	0.000
As2	0.00711 (9)	0.00711 (9)	0.00488 (12)	0.00356 (5)	0.000	0.000
As1	0.00791 (7)	0.00741 (7)	0.00713 (7)	0.00455 (5)	0.00002 (4)	0.00038 (4)
O1	0.0132 (4)	0.0108 (4)	0.0081 (4)	0.0075 (4)	−0.0032 (3)	−0.0004 (3)
O2	0.0100 (4)	0.0098 (4)	0.0101 (4)	0.0050 (4)	0.0008 (3)	−0.0016 (3)
O3	0.0107 (5)	0.0178 (5)	0.0258 (6)	0.0073 (4)	0.0071 (4)	0.0063 (4)
O4	0.0112 (4)	0.0084 (4)	0.0121 (4)	0.0058 (4)	−0.0026 (3)	−0.0035 (3)

Geometric parameters (Å, º)

Rb1A—Rb1B^i	0.29 (3)	Rb1B—O2	3.4223 (12)
Rb1A—Rb1B^ii	0.29 (2)	Rb1B—O3^iii	3.523 (16)
Rb1A—O3	3.3320 (14)	Rb1B—O3^ii	3.523 (16)
Rb1A—O3^iii	3.3321 (14)	Al1—O4^vi	1.8920 (11)
Rb1A—O3^iv	3.3321 (14)	Al1—O4^i	1.8920 (10)
Rb1A—O3^ii	3.3321 (14)	Al1—O4^vii	1.8920 (10)
Rb1A—O3^v	3.3321 (14)	Al1—O2^viii	1.8955 (10)
Rb1A—O3^i	3.3321 (14)	Al1—O2^ii	1.8955 (11)
Rb1A—O2^iii	3.4405 (11)	Al1—O2^ix	1.8955 (10)
Rb1A—O2^i	3.4405 (11)	As2—O1^x	1.8084 (10)
Rb1A—O2^v	3.4405 (11)	As2—O1^xi	1.8084 (10)
Rb1A—O2^iv	3.4405 (11)	As2—O1^xii	1.8084 (10)
Rb1B—Rb1B^i	0.50 (4)	As2—O1^i	1.8085 (10)
Rb1B—Rb1B^ii	0.50 (4)	As2—O1^vii	1.8085 (10)
Rb1B—O2^i	3.219 (18)	As2—O1^vi	1.8085 (10)
Rb1B—O2^v	3.219 (18)	As1—O4^iv	1.6637 (10)
Rb1B—O3	3.221 (8)	As1—O2	1.6641 (10)
Rb1B—O3^iv	3.221 (8)	As1—O1^xiii	1.7109 (10)
Rb1B—O3^v	3.282 (3)	As1—O3	1.7130 (12)
Rb1B—O3^i	3.282 (3)	O3—H	0.79 (3)
Rb1B—O2^iv	3.4223 (12)
Rb1B^i—Rb1A—Rb1B^ii	120.00 (12)	O2^v—Rb1B—O2	55.65 (15)
Rb1B^i—Rb1A—O3	129.67 (2)	O3—Rb1B—O2	47.18 (6)
Rb1B^ii—Rb1A—O3	77.47 (8)	O3^iv—Rb1B—O2	131.7 (3)
Rb1B^i—Rb1A—O3^iii	65.08 (2)	O3^v—Rb1B—O2	64.06 (5)
Rb1B^ii—Rb1A—O3^iii	77.47 (8)	O3^i—Rb1B—O2	115.58 (10)
O3—Rb1A—O3^iii	154.94 (4)	O2^iv—Rb1B—O2	177.5 (8)
Rb1B^i—Rb1A—O3^iv	77.47 (2)	Rb1B^i—Rb1B—O3^iii	49.5 (2)
Rb1B^ii—Rb1A—O3^iv	129.67 (3)	Rb1B^ii—Rb1B—O3^iii	57.46 (18)
O3—Rb1A—O3^iv	130.15 (4)	O2^i—Rb1B—O3^iii	128.04 (5)
O3^iii—Rb1A—O3^iv	68.41 (3)	O2^v—Rb1B—O3^iii	114.51 (4)
Rb1B^i—Rb1A—O3^ii	77.47 (2)	O3—Rb1B—O3^iii	149.4 (5)
Rb1B^ii—Rb1A—O3^ii	65.08 (7)	O3^iv—Rb1B—O3^iii	67.32 (12)
O3—Rb1A—O3^ii	68.42 (3)	O3^v—Rb1B—O3^iii	66.70 (16)
O3^iii—Rb1A—O3^ii	100.67 (4)	O3^i—Rb1B—O3^iii	125.3 (4)
O3^iv—Rb1A—O3^ii	154.94 (4)	O2^iv—Rb1B—O3^iii	75.3 (2)
Rb1B^i—Rb1A—O3^v	129.67 (2)	O2—Rb1B—O3^iii	106.4 (3)
Rb1B^ii—Rb1A—O3^v	65.08 (7)	Rb1B^i—Rb1B—O3^ii	57.5 (2)
O3—Rb1A—O3^v	100.66 (4)	Rb1B^ii—Rb1B—O3^ii	49.50 (19)
O3^iii—Rb1A—O3^v	68.41 (3)	O2^i—Rb1B—O3^ii	114.51 (4)
O3^iv—Rb1A—O3^v	68.41 (3)	O2^v—Rb1B—O3^ii	128.04 (5)
O3^ii—Rb1A—O3^v	130.15 (4)	O3—Rb1B—O3^ii	67.32 (12)
Rb1B^i—Rb1A—O3^i	65.08 (2)	O3^iv—Rb1B—O3^ii	149.4 (5)
Rb1B^ii—Rb1A—O3^i	129.67 (3)	O3^v—Rb1B—O3^ii	125.3 (4)
O3—Rb1A—O3^i	68.42 (3)	O3^i—Rb1B—O3^ii	66.70 (16)
O3^iii—Rb1A—O3^i	130.15 (5)	O2^iv—Rb1B—O3^ii	106.4 (3)
O3^iv—Rb1A—O3^i	100.67 (4)	O2—Rb1B—O3^ii	75.3 (2)
O3^ii—Rb1A—O3^i	68.41 (3)	O3^iii—Rb1B—O3^ii	93.4 (6)
O3^v—Rb1A—O3^i	154.94 (4)	O4^vi—Al1—O4^i	89.57 (5)
Rb1B^i—Rb1A—O2^iii	83.963 (17)	O4^vi—Al1—O4^vii	89.57 (5)
Rb1B^ii—Rb1A—O2^iii	38.07 (12)	O4^i—Al1—O4^vii	89.57 (5)
O3—Rb1A—O2^iii	110.43 (3)	O4^vi—Al1—O2^viii	88.61 (4)
O3^iii—Rb1A—O2^iii	46.31 (2)	O4^i—Al1—O2^viii	178.15 (5)
O3^iv—Rb1A—O2^iii	113.77 (3)	O4^vii—Al1—O2^viii	90.79 (4)
O3^ii—Rb1A—O2^iii	63.34 (3)	O4^vi—Al1—O2^ii	178.15 (5)
O3^v—Rb1A—O2^iii	77.59 (3)	O4^i—Al1—O2^ii	90.79 (4)
O3^i—Rb1A—O2^iii	127.02 (3)	O4^vii—Al1—O2^ii	88.61 (4)
Rb1B^i—Rb1A—O2^i	83.964 (17)	O2^viii—Al1—O2^ii	91.03 (5)
Rb1B^ii—Rb1A—O2^i	153.18 (11)	O4^vi—Al1—O2^ix	90.79 (4)
O3—Rb1A—O2^i	77.59 (3)	O4^i—Al1—O2^ix	88.61 (4)
O3^iii—Rb1A—O2^i	127.02 (3)	O4^vii—Al1—O2^ix	178.15 (5)
O3^iv—Rb1A—O2^i	63.34 (3)	O2^viii—Al1—O2^ix	91.03 (5)
O3^ii—Rb1A—O2^i	113.77 (3)	O2^ii—Al1—O2^ix	91.03 (5)
O3^v—Rb1A—O2^i	110.43 (3)	O1^x—As2—O1^xi	92.51 (4)
O3^i—Rb1A—O2^i	46.31 (2)	O1^x—As2—O1^xii	92.51 (4)
O2^iii—Rb1A—O2^i	167.93 (4)	O1^xi—As2—O1^xii	92.51 (4)
Rb1B^i—Rb1A—O2^v	153.18 (2)	O1^x—As2—O1^i	87.49 (4)
Rb1B^ii—Rb1A—O2^v	83.96 (12)	O1^xi—As2—O1^i	180.00 (8)
O3—Rb1A—O2^v	63.34 (3)	O1^xii—As2—O1^i	87.49 (4)
O3^iii—Rb1A—O2^v	113.77 (3)	O1^x—As2—O1^vii	180.0
O3^iv—Rb1A—O2^v	77.59 (3)	O1^xi—As2—O1^vii	87.49 (4)
O3^ii—Rb1A—O2^v	127.02 (3)	O1^xii—As2—O1^vii	87.49 (4)
O3^v—Rb1A—O2^v	46.32 (2)	O1^i—As2—O1^vii	92.51 (4)
O3^i—Rb1A—O2^v	110.43 (3)	O1^x—As2—O1^vi	87.49 (4)
O2^iii—Rb1A—O2^v	115.294 (11)	O1^xi—As2—O1^vi	87.49 (4)
O2^i—Rb1A—O2^v	76.14 (3)	O1^xii—As2—O1^vi	180.00 (6)
Rb1B^i—Rb1A—O2^iv	38.070 (17)	O1^i—As2—O1^vi	92.51 (4)
Rb1B^ii—Rb1A—O2^iv	153.18 (11)	O1^vii—As2—O1^vi	92.51 (4)
O3—Rb1A—O2^iv	127.02 (3)	O4^iv—As1—O2	117.43 (5)
O3^iii—Rb1A—O2^iv	77.59 (3)	O4^iv—As1—O1^xiii	100.53 (5)
O3^iv—Rb1A—O2^iv	46.31 (3)	O2—As1—O1^xiii	114.90 (5)
O3^ii—Rb1A—O2^iv	110.43 (3)	O4^iv—As1—O3	110.71 (5)
O3^v—Rb1A—O2^iv	113.77 (3)	O2—As1—O3	104.21 (6)
O3^i—Rb1A—O2^iv	63.34 (3)	O1^xiii—As1—O3	109.05 (6)
O2^iii—Rb1A—O2^iv	115.293 (11)	O4^iv—As1—Rb1B^ii	113.3 (2)
O2^i—Rb1A—O2^iv	53.64 (3)	O2—As1—Rb1B^ii	53.1 (3)
O2^v—Rb1A—O2^iv	115.292 (11)	O1^xiii—As1—Rb1B^ii	145.90 (17)
Rb1B^i—Rb1B—Rb1B^ii	60.00 (3)	O3—As1—Rb1B^ii	55.6 (2)
Rb1B^i—Rb1B—O2^i	110.1 (3)	O4^iv—As1—Rb1B	107.5 (3)
Rb1B^ii—Rb1B—O2^i	163.56 (16)	O2—As1—Rb1B	59.1 (2)
Rb1B^i—Rb1B—O2^v	163.6 (2)	O1^xiii—As1—Rb1B	150.6 (3)
Rb1B^ii—Rb1B—O2^v	110.1 (4)	O3—As1—Rb1B	52.50 (7)
O2^i—Rb1B—O2^v	82.5 (6)	Rb1B^ii—As1—Rb1B	7.2 (6)
Rb1B^i—Rb1B—O3	123.7 (3)	O4^iv—As1—Rb1A	111.07 (4)
Rb1B^ii—Rb1B—O3	92.6 (4)	O2—As1—Rb1A	56.56 (4)
O2^i—Rb1B—O3	82.5 (4)	O1^xiii—As1—Rb1A	147.52 (3)
O2^v—Rb1B—O3	67.1 (3)	O3—As1—Rb1A	53.13 (5)
Rb1B^i—Rb1B—O3^iv	92.6 (4)	Rb1B^ii—As1—Rb1A	3.6 (3)
Rb1B^ii—Rb1B—O3^iv	123.7 (3)	Rb1B—As1—Rb1A	3.8 (3)
O2^i—Rb1B—O3^iv	67.1 (3)	As1^xiv—O1—As2^xv	131.16 (6)
O2^v—Rb1B—O3^iv	82.5 (4)	As1—O2—Al1^xvi	125.42 (6)
O3—Rb1B—O3^iv	139.5 (8)	As1—O2—Rb1B^ii	102.5 (3)
Rb1B^i—Rb1B—O3^v	115.2 (4)	Al1^xvi—O2—Rb1B^ii	127.23 (19)
Rb1B^ii—Rb1B—O3^v	78.7 (4)	As1—O2—Rb1B	96.2 (3)
O2^i—Rb1B—O3^v	117.7 (6)	Al1^xvi—O2—Rb1B	130.66 (13)
O2^v—Rb1B—O3^v	48.40 (16)	Rb1B^ii—O2—Rb1B	7.9 (7)
O3—Rb1B—O3^v	104.1 (3)	As1—O2—Rb1A	99.64 (4)
O3^iv—Rb1B—O3^v	70.35 (14)	Al1^xvi—O2—Rb1A	129.21 (4)
Rb1B^i—Rb1B—O3^i	78.7 (4)	Rb1B^ii—O2—Rb1A	3.2 (3)
Rb1B^ii—Rb1B—O3^i	115.2 (3)	Rb1B—O2—Rb1A	4.8 (4)
O2^i—Rb1B—O3^i	48.40 (16)	As1—O3—Rb1B	102.55 (5)
O2^v—Rb1B—O3^i	117.7 (6)	As1—O3—Rb1B^ii	98.9 (3)
O3—Rb1B—O3^i	70.35 (14)	Rb1B—O3—Rb1B^ii	8.7 (7)
O3^iv—Rb1B—O3^i	104.2 (3)	As1—O3—Rb1A	102.59 (5)
O3^v—Rb1B—O3^i	164.8 (8)	Rb1B—O3—Rb1A	4.7 (4)
Rb1B^i—Rb1B—O2^iv	62.0 (4)	Rb1B^ii—O3—Rb1A	4.9 (4)
Rb1B^ii—Rb1B—O2^iv	120.4 (3)	As1—O3—Rb1B^i	106.0 (3)
O2^i—Rb1B—O2^iv	55.64 (15)	Rb1B—O3—Rb1B^i	6.8 (6)
O2^v—Rb1B—O2^iv	122.1 (6)	Rb1B^ii—O3—Rb1B^i	7.4 (6)
O3—Rb1B—O2^iv	131.7 (3)	Rb1A—O3—Rb1B^i	3.6 (3)
O3^iv—Rb1B—O2^iv	47.18 (6)	As1—O3—H	109 (2)
O3^v—Rb1B—O2^iv	115.58 (10)	Rb1B—O3—H	89 (2)
O3^i—Rb1B—O2^iv	64.05 (5)	Rb1B^ii—O3—H	98 (2)
Rb1B^i—Rb1B—O2	120.4 (4)	Rb1A—O3—H	94 (2)
Rb1B^ii—Rb1B—O2	62.0 (5)	Rb1B^i—O3—H	94 (2)
O2^i—Rb1B—O2	122.1 (6)	As1^iv—O4—Al1^xv	127.55 (6)

Symmetry codes: (i) −y, x−y, z; (ii) −x+y, −x, z; (iii) x−y, −y, −z+3/2; (iv) −x, −x+y, −z+3/2; (v) y, x, −z+3/2; (vi) x, y+1, z; (vii) −x+y+1, −x+1, z; (viii) x+1, y+1, z; (ix) −y, x−y+1, z; (x) x−y−1/3, x+1/3, −z+4/3; (xi) y+2/3, −x+y+4/3, −z+4/3; (xii) −x+2/3, −y+1/3, −z+4/3; (xiii) x−1, y, z; (xiv) x+1, y, z; (xv) x, y−1, z; (xvi) x−1, y−1, z.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H···O4^xvii	0.79 (3)	2.02 (2)	2.7349 (16)	149 (3)

Symmetry code: (xvii) y, x−1, −z+3/2.

Rubidium aluminium bis[hydrogen arsenate(V)] (rbalhas)

Crystal data

RbAl(HAsO4)2	Dx = 3.701 Mg m^−3
Mr = 392.31	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3c:H	Cell parameters from 2588 reflections
a = 8.318 (1) Å	θ = 2.9–32.6°
c = 52.870 (11) Å	µ = 16.50 mm^−1
V = 3167.9 (10) Å^3	T = 293 K
Z = 18	Large pseudooctahedral, colourless
F(000) = 3276	0.17 × 0.15 × 0.07 mm

Data collection

Nonius KappaCCD single-crystal four-circle diffractometer	1231 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.025
φ and ω scans	θmax = 32.6°, θmin = 2.9°
Absorption correction: multi-scan (SCALEPACK; Otwinowski et al., 2003)	h = −12→12
Tmin = 0.166, Tmax = 0.391	k = −10→10
4716 measured reflections	l = −79→79
1294 independent reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.020	All H-atom parameters refined
wR(F^2) = 0.055	w = 1/[σ^2(Fo^2) + (0.0333P)^2 + 9.402P] where P = (Fo^2 + 2Fc^2)/3
S = 1.11	(Δ/σ)max = 0.003
1294 reflections	Δρmax = 0.90 e Å^−3
65 parameters	Δρmin = −0.97 e Å^−3
2 restraints	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00306 (9)

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Rb1	0.000000	0.000000	0.750000	0.0282 (2)	0.949 (3)
Rb1B	0.000000	−0.055 (2)	0.750000	0.002 (2)*	0.0170 (9)
Rb2	0.000000	0.000000	0.66651 (2)	0.02469 (11)
Al1	0.333333	0.666667	0.75459 (2)	0.00609 (17)
Al2	0.333333	0.666667	0.666667	0.0068 (2)
As	−0.43608 (2)	−0.39754 (2)	0.71300 (2)	0.00631 (8)
O1	0.4436 (2)	−0.4429 (2)	0.68641 (2)	0.0127 (3)
O2	−0.45269 (18)	−0.25946 (18)	0.73442 (2)	0.0089 (2)
O3	−0.2019 (2)	−0.27936 (19)	0.70483 (3)	0.0145 (3)
O4	0.47736 (18)	−0.12675 (17)	0.77601 (2)	0.0083 (2)
H	−0.154 (5)	−0.339 (5)	0.7096 (7)	0.042 (11)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Rb1	0.0339 (3)	0.0339 (3)	0.0169 (3)	0.01693 (14)	0.000	0.000
Rb2	0.03062 (15)	0.03062 (15)	0.01283 (17)	0.01531 (7)	0.000	0.000
Al1	0.0075 (2)	0.0075 (2)	0.0034 (4)	0.00373 (12)	0.000	0.000
Al2	0.0088 (3)	0.0088 (3)	0.0028 (5)	0.00441 (17)	0.000	0.000
As	0.00875 (11)	0.00746 (11)	0.00394 (11)	0.00496 (7)	0.00055 (5)	0.00061 (5)
O1	0.0203 (6)	0.0169 (6)	0.0054 (5)	0.0125 (5)	−0.0044 (5)	−0.0008 (4)
O2	0.0105 (5)	0.0092 (5)	0.0071 (5)	0.0051 (4)	0.0011 (4)	−0.0018 (4)
O3	0.0108 (6)	0.0142 (6)	0.0200 (7)	0.0075 (5)	0.0069 (5)	0.0069 (5)
O4	0.0099 (5)	0.0082 (5)	0.0085 (5)	0.0058 (4)	−0.0012 (4)	−0.0027 (4)

Geometric parameters (Å, º)

Rb1—Rb1B^i	0.457 (19)	Rb2—O3^i	2.9019 (15)
Rb1—Rb1B^ii	0.457 (18)	Rb2—O3^ii	2.9019 (15)
Rb1—O3	3.1658 (18)	Rb2—O3	2.9020 (16)
Rb1—O3^iii	3.1658 (18)	Rb2—O1^vi	3.3814 (14)
Rb1—O3^iv	3.1658 (17)	Rb2—O1^vii	3.3815 (15)
Rb1—O3^ii	3.1658 (18)	Rb2—O1^viii	3.3815 (15)
Rb1—O3^v	3.1658 (18)	Rb2—O4^ix	3.3859 (14)
Rb1—O3^i	3.1658 (18)	Rb2—O4^x	3.3859 (14)
Rb1—O2	3.3747 (14)	Rb2—O4^xi	3.3859 (14)
Rb1—O2^iv	3.3748 (14)	Rb2—O3^xii	3.4769 (17)
Rb1—O2^v	3.3748 (14)	Rb2—O3^xiii	3.4769 (17)
Rb1—O2^ii	3.3748 (14)	Rb2—O3^xiv	3.4769 (17)
Rb1—O2^iii	3.3748 (14)	Al1—O2^xv	1.8947 (14)
Rb1—O2^i	3.3748 (14)	Al1—O2^ii	1.8947 (14)
Rb1—As	3.9905 (5)	Al1—O2^xvi	1.8947 (14)
Rb1—H	3.25 (4)	Al1—O4^i	1.9002 (14)
Rb1B—Rb1B^i	0.79 (3)	Al1—O4^xvii	1.9002 (14)
Rb1B—Rb1B^ii	0.79 (3)	Al1—O4^xviii	1.9002 (14)
Rb1B—O3	2.979 (6)	Al2—O1^viii	1.8964 (13)
Rb1B—O3^iv	2.979 (6)	Al2—O1^xiv	1.8964 (14)
Rb1B—O2^v	3.023 (13)	Al2—O1^xix	1.8964 (13)
Rb1B—O2^i	3.023 (13)	Al2—O1^i	1.8965 (13)
Rb1B—O3^v	3.1237 (18)	Al2—O1^xviii	1.8965 (14)
Rb1B—O3^i	3.1237 (18)	Al2—O1^xvii	1.8965 (13)
Rb1B—O2	3.3684 (17)	As—O1^xx	1.6563 (13)
Rb1B—O2^iv	3.3684 (17)	As—O2	1.6671 (13)
Rb1B—O3^iii	3.473 (13)	As—O4^iv	1.6788 (13)
Rb1B—O3^ii	3.473 (13)	As—O3	1.7412 (15)
Rb1B—H	2.96 (4)	O3—H	0.81 (3)
Rb1B^i—Rb1—Rb1B^ii	120.00 (6)	Rb1B^i—Rb1B—H	133.7 (7)
Rb1B^i—Rb1—O3	129.22 (3)	Rb1B^ii—Rb1B—H	108.4 (7)
Rb1B^ii—Rb1—O3	80.59 (5)	O3—Rb1B—H	15.7 (6)
Rb1B^i—Rb1—O3^iii	62.05 (3)	O3^iv—Rb1B—H	124.2 (9)
Rb1B^ii—Rb1—O3^iii	80.59 (5)	O2^v—Rb1B—H	62.4 (8)
O3—Rb1—O3^iii	161.17 (5)	O2^i—Rb1B—H	66.9 (8)
Rb1B^i—Rb1—O3^iv	80.59 (3)	O3^v—Rb1B—H	107.4 (8)
Rb1B^ii—Rb1—O3^iv	129.22 (3)	O3^i—Rb1B—H	71.3 (8)
O3—Rb1—O3^iv	124.09 (5)	O2—Rb1B—H	59.4 (8)
O3^iii—Rb1—O3^iv	69.28 (4)	O2^iv—Rb1B—H	124.9 (8)
Rb1B^i—Rb1—O3^ii	80.59 (3)	O3^iii—Rb1B—H	165.5 (8)
Rb1B^ii—Rb1—O3^ii	62.05 (4)	O3^ii—Rb1B—H	81.6 (6)
O3—Rb1—O3^ii	69.28 (4)	O3^i—Rb2—O3^ii	76.65 (5)
O3^iii—Rb1—O3^ii	101.56 (5)	O3^i—Rb2—O3	76.65 (5)
O3^iv—Rb1—O3^ii	161.17 (6)	O3^ii—Rb2—O3	76.65 (5)
Rb1B^i—Rb1—O3^v	129.22 (3)	O3^i—Rb2—O1^vi	74.75 (4)
Rb1B^ii—Rb1—O3^v	62.05 (4)	O3^ii—Rb2—O1^vi	150.93 (4)
O3—Rb1—O3^v	101.56 (6)	O3—Rb2—O1^vi	91.73 (4)
O3^iii—Rb1—O3^v	69.28 (4)	O3^i—Rb2—O1^vii	150.93 (4)
O3^iv—Rb1—O3^v	69.28 (4)	O3^ii—Rb2—O1^vii	91.73 (4)
O3^ii—Rb1—O3^v	124.09 (5)	O3—Rb2—O1^vii	74.75 (4)
Rb1B^i—Rb1—O3^i	62.05 (3)	O1^vi—Rb2—O1^vii	111.06 (2)
Rb1B^ii—Rb1—O3^i	129.22 (3)	O3^i—Rb2—O1^viii	91.73 (4)
O3—Rb1—O3^i	69.28 (4)	O3^ii—Rb2—O1^viii	74.75 (4)
O3^iii—Rb1—O3^i	124.09 (6)	O3—Rb2—O1^viii	150.93 (4)
O3^iv—Rb1—O3^i	101.56 (5)	O1^vi—Rb2—O1^viii	111.06 (2)
O3^ii—Rb1—O3^i	69.28 (4)	O1^vii—Rb2—O1^viii	111.06 (2)
O3^v—Rb1—O3^i	161.17 (5)	O3^i—Rb2—O4^ix	110.59 (4)
Rb1B^i—Rb1—O2	151.36 (2)	O3^ii—Rb2—O4^ix	155.51 (4)
Rb1B^ii—Rb1—O2	37.25 (6)	O3—Rb2—O4^ix	127.42 (4)
O3—Rb1—O2	48.21 (3)	O1^vi—Rb2—O4^ix	46.24 (3)
O3^iii—Rb1—O2	113.96 (3)	O1^vii—Rb2—O4^ix	91.07 (3)
O3^iv—Rb1—O2	126.15 (3)	O1^viii—Rb2—O4^ix	81.55 (3)
O3^ii—Rb1—O2	72.37 (4)	O3^i—Rb2—O4^x	155.51 (4)
O3^v—Rb1—O2	63.68 (4)	O3^ii—Rb2—O4^x	127.42 (4)
O3^i—Rb1—O2	114.63 (4)	O3—Rb2—O4^x	110.59 (4)
Rb1B^i—Rb1—O2^iv	37.25 (2)	O1^vi—Rb2—O4^x	81.55 (3)
Rb1B^ii—Rb1—O2^iv	151.36 (6)	O1^vii—Rb2—O4^x	46.24 (3)
O3—Rb1—O2^iv	126.15 (3)	O1^viii—Rb2—O4^x	91.07 (3)
O3^iii—Rb1—O2^iv	72.37 (3)	O4^ix—Rb2—O4^x	45.96 (4)
O3^iv—Rb1—O2^iv	48.21 (3)	O3^i—Rb2—O4^xi	127.42 (4)
O3^ii—Rb1—O2^iv	113.96 (3)	O3^ii—Rb2—O4^xi	110.59 (4)
O3^v—Rb1—O2^iv	114.63 (3)	O3—Rb2—O4^xi	155.51 (4)
O3^i—Rb1—O2^iv	63.68 (4)	O1^vi—Rb2—O4^xi	91.07 (3)
O2—Rb1—O2^iv	170.64 (4)	O1^vii—Rb2—O4^xi	81.55 (3)
Rb1B^i—Rb1—O2^v	151.36 (2)	O1^viii—Rb2—O4^xi	46.24 (3)
Rb1B^ii—Rb1—O2^v	85.32 (7)	O4^ix—Rb2—O4^xi	45.96 (4)
O3—Rb1—O2^v	63.68 (4)	O4^x—Rb2—O4^xi	45.96 (4)
O3^iii—Rb1—O2^v	114.63 (4)	O3^i—Rb2—O3^xii	117.06 (5)
O3^iv—Rb1—O2^v	72.37 (4)	O3^ii—Rb2—O3^xii	151.85 (5)
O3^ii—Rb1—O2^v	126.15 (3)	O3—Rb2—O3^xii	82.73 (5)
O3^v—Rb1—O2^v	48.21 (3)	O1^vi—Rb2—O3^xii	46.99 (3)
O3^i—Rb1—O2^v	113.96 (3)	O1^vii—Rb2—O3^xii	64.18 (3)
O2—Rb1—O2^v	57.28 (4)	O1^viii—Rb2—O3^xii	125.93 (4)
O2^iv—Rb1—O2^v	114.240 (17)	O4^ix—Rb2—O3^xii	46.63 (3)
Rb1B^i—Rb1—O2^ii	37.25 (2)	O4^x—Rb2—O3^xii	44.56 (3)
Rb1B^ii—Rb1—O2^ii	85.32 (7)	O4^xi—Rb2—O3^xii	81.47 (4)
O3—Rb1—O2^ii	114.63 (3)	O3^i—Rb2—O3^xiii	82.73 (5)
O3^iii—Rb1—O2^ii	63.68 (4)	O3^ii—Rb2—O3^xiii	117.06 (6)
O3^iv—Rb1—O2^ii	113.96 (3)	O3—Rb2—O3^xiii	151.85 (5)
O3^ii—Rb1—O2^ii	48.21 (3)	O1^vi—Rb2—O3^xiii	64.18 (4)
O3^v—Rb1—O2^ii	126.15 (3)	O1^vii—Rb2—O3^xiii	125.93 (4)
O3^i—Rb1—O2^ii	72.37 (3)	O1^viii—Rb2—O3^xiii	46.99 (3)
O2—Rb1—O2^ii	114.241 (17)	O4^ix—Rb2—O3^xiii	44.56 (3)
O2^iv—Rb1—O2^ii	74.50 (4)	O4^x—Rb2—O3^xiii	81.47 (4)
O2^v—Rb1—O2^ii	170.64 (4)	O4^xi—Rb2—O3^xiii	46.63 (3)
Rb1B^i—Rb1—O2^iii	85.32 (2)	O3^xii—Rb2—O3^xiii	89.95 (4)
Rb1B^ii—Rb1—O2^iii	37.25 (7)	O3^i—Rb2—O3^xiv	151.85 (5)
O3—Rb1—O2^iii	113.96 (3)	O3^ii—Rb2—O3^xiv	82.73 (5)
O3^iii—Rb1—O2^iii	48.21 (3)	O3—Rb2—O3^xiv	117.06 (6)
O3^iv—Rb1—O2^iii	114.63 (3)	O1^vi—Rb2—O3^xiv	125.93 (4)
O3^ii—Rb1—O2^iii	63.68 (4)	O1^vii—Rb2—O3^xiv	46.99 (3)
O3^v—Rb1—O2^iii	72.37 (3)	O1^viii—Rb2—O3^xiv	64.18 (3)
O3^i—Rb1—O2^iii	126.15 (3)	O4^ix—Rb2—O3^xiv	81.47 (4)
O2—Rb1—O2^iii	74.50 (4)	O4^x—Rb2—O3^xiv	46.63 (3)
O2^iv—Rb1—O2^iii	114.240 (17)	O4^xi—Rb2—O3^xiv	44.56 (3)
O2^v—Rb1—O2^iii	114.240 (17)	O3^xii—Rb2—O3^xiv	89.95 (4)
O2^ii—Rb1—O2^iii	57.28 (4)	O3^xiii—Rb2—O3^xiv	89.95 (4)
Rb1B^i—Rb1—O2^i	85.32 (2)	O2^xv—Al1—O2^ii	91.40 (6)
Rb1B^ii—Rb1—O2^i	151.36 (6)	O2^xv—Al1—O2^xvi	91.40 (6)
O3—Rb1—O2^i	72.37 (3)	O2^ii—Al1—O2^xvi	91.40 (6)
O3^iii—Rb1—O2^i	126.15 (3)	O2^xv—Al1—O4^i	88.67 (6)
O3^iv—Rb1—O2^i	63.68 (3)	O2^ii—Al1—O4^i	91.77 (6)
O3^ii—Rb1—O2^i	114.63 (3)	O2^xvi—Al1—O4^i	176.82 (7)
O3^v—Rb1—O2^i	113.96 (3)	O2^xv—Al1—O4^xvii	91.77 (6)
O3^i—Rb1—O2^i	48.21 (3)	O2^ii—Al1—O4^xvii	176.82 (6)
O2—Rb1—O2^i	114.241 (17)	O2^xvi—Al1—O4^xvii	88.67 (6)
O2^iv—Rb1—O2^i	57.28 (4)	O4^i—Al1—O4^xvii	88.15 (7)
O2^v—Rb1—O2^i	74.50 (4)	O2^xv—Al1—O4^xviii	176.82 (6)
O2^ii—Rb1—O2^i	114.240 (17)	O2^ii—Al1—O4^xviii	88.67 (6)
O2^iii—Rb1—O2^i	170.64 (5)	O2^xvi—Al1—O4^xviii	91.77 (6)
Rb1B^i—Rb1—As	150.321 (7)	O4^i—Al1—O4^xviii	88.15 (7)
Rb1B^ii—Rb1—As	60.35 (5)	O4^xvii—Al1—O4^xviii	88.15 (6)
O3—Rb1—As	24.92 (3)	O2^xv—Al1—Rb2^xxi	124.27 (5)
O3^iii—Rb1—As	138.17 (3)	O2^ii—Al1—Rb2^xxi	124.27 (5)
O3^iv—Rb1—As	123.79 (3)	O2^xvi—Al1—Rb2^xxi	124.27 (5)
O3^ii—Rb1—As	74.22 (3)	O4^i—Al1—Rb2^xxi	53.44 (5)
O3^v—Rb1—As	78.94 (3)	O4^xvii—Al1—Rb2^xxi	53.44 (5)
O3^i—Rb1—As	93.98 (3)	O4^xviii—Al1—Rb2^xxi	53.44 (5)
O2—Rb1—As	24.37 (2)	O1^viii—Al2—O1^xiv	92.62 (6)
O2^iv—Rb1—As	148.19 (2)	O1^viii—Al2—O1^xix	92.62 (6)
O2^v—Rb1—As	52.11 (2)	O1^xiv—Al2—O1^xix	92.62 (6)
O2^ii—Rb1—As	122.23 (2)	O1^viii—Al2—O1^i	180.0
O2^iii—Rb1—As	97.09 (2)	O1^xiv—Al2—O1^i	87.38 (6)
O2^i—Rb1—As	91.06 (2)	O1^xix—Al2—O1^i	87.38 (6)
Rb1B^i—Rb1—H	129.2 (7)	O1^viii—Al2—O1^xviii	87.38 (6)
Rb1B^ii—Rb1—H	92.2 (7)	O1^xiv—Al2—O1^xviii	180.0
O3—Rb1—H	14.5 (6)	O1^xix—Al2—O1^xviii	87.38 (6)
O3^iii—Rb1—H	168.8 (7)	O1^i—Al2—O1^xviii	92.62 (6)
O3^iv—Rb1—H	109.8 (6)	O1^viii—Al2—O1^xvii	87.38 (6)
O3^ii—Rb1—H	82.4 (5)	O1^xiv—Al2—O1^xvii	87.38 (6)
O3^v—Rb1—H	99.7 (7)	O1^xix—Al2—O1^xvii	180.0
O3^i—Rb1—H	67.1 (7)	O1^i—Al2—O1^xvii	92.62 (6)
O2—Rb1—H	56.9 (7)	O1^xviii—Al2—O1^xvii	92.62 (6)
O2^iv—Rb1—H	115.9 (7)	O1^xx—As—O2	118.99 (7)
O2^v—Rb1—H	55.7 (6)	O1^xx—As—O4^iv	105.65 (7)
O2^ii—Rb1—H	124.7 (6)	O2—As—O4^iv	115.14 (7)
O2^iii—Rb1—H	127.5 (6)	O1^xx—As—O3	107.23 (8)
O2^i—Rb1—H	59.7 (6)	O2—As—O3	103.55 (7)
As—Rb1—H	32.5 (7)	O4^iv—As—O3	105.21 (6)
Rb1B^i—Rb1B—Rb1B^ii	60.002 (18)	O1^xx—As—Rb2^xii	66.24 (5)
Rb1B^i—Rb1B—O3	122.9 (3)	O2—As—Rb2^xii	172.53 (5)
Rb1B^ii—Rb1B—O3	93.1 (3)	O4^iv—As—Rb2^xii	66.37 (5)
Rb1B^i—Rb1B—O3^iv	93.1 (3)	O3—As—Rb2^xii	69.23 (5)
Rb1B^ii—Rb1B—O3^iv	122.9 (3)	O1^xx—As—Rb1B^ii	141.68 (11)
O3—Rb1B—O3^iv	139.7 (7)	O2—As—Rb1B^ii	50.9 (3)
Rb1B^i—Rb1B—O2^v	161.37 (19)	O4^iv—As—Rb1B^ii	111.62 (15)
Rb1B^ii—Rb1B—O2^v	109.2 (3)	O3—As—Rb1B^ii	54.8 (2)
O3—Rb1B—O2^v	70.3 (3)	Rb2^xii—As—Rb1B^ii	121.7 (3)
O3^iv—Rb1B—O2^v	80.2 (3)	O1^xx—As—Rb1B	147.14 (18)
Rb1B^i—Rb1B—O2^i	109.2 (2)	O2—As—Rb1B	61.1 (2)
Rb1B^ii—Rb1B—O2^i	161.37 (16)	O4^iv—As—Rb1B	102.5 (3)
O3—Rb1B—O2^i	80.2 (3)	O3—As—Rb1B	48.17 (9)
O3^iv—Rb1B—O2^i	70.3 (3)	Rb2^xii—As—Rb1B	111.57 (19)
O2^v—Rb1B—O2^i	85.0 (5)	Rb1B^ii—As—Rb1B	11.9 (5)
Rb1B^i—Rb1B—O3^v	109.8 (3)	O1^xx—As—Rb1	143.17 (5)
Rb1B^ii—Rb1B—O3^v	72.2 (3)	O2—As—Rb1	56.65 (5)
O3—Rb1B—O3^v	106.96 (17)	O4^iv—As—Rb1	108.32 (4)
O3^iv—Rb1B—O3^v	72.24 (10)	O3—As—Rb1	49.99 (6)
O2^v—Rb1B—O3^v	51.62 (12)	Rb2^xii—As—Rb1	115.899 (7)
O2^i—Rb1B—O3^v	126.3 (5)	Rb1B^ii—As—Rb1	6.0 (3)
Rb1B^i—Rb1B—O3^i	72.2 (3)	Rb1B—As—Rb1	6.3 (3)
Rb1B^ii—Rb1B—O3^i	109.8 (3)	As^xxii—O1—Al2^xxiii	137.73 (9)
O3—Rb1B—O3^i	72.24 (10)	As^xxii—O1—Rb2^vi	87.12 (5)
O3^iv—Rb1B—O3^i	106.96 (17)	Al2^xxiii—O1—Rb2^vi	128.77 (6)
O2^v—Rb1B—O3^i	126.3 (5)	As—O2—Al1^xxiv	123.16 (8)
O2^i—Rb1B—O3^i	51.62 (12)	As—O2—Rb1B^ii	103.8 (2)
O3^v—Rb1B—O3^i	177.8 (7)	Al1^xxiv—O2—Rb1B^ii	126.39 (17)
Rb1B^i—Rb1B—O2	115.9 (3)	As—O2—Rb1B	93.3 (2)
Rb1B^ii—Rb1B—O2	57.9 (3)	Al1^xxiv—O2—Rb1B	131.13 (8)
O3—Rb1B—O2	49.44 (4)	Rb1B^ii—O2—Rb1B	12.8 (5)
O3^iv—Rb1B—O2	133.4 (2)	As—O2—Rb1	98.98 (5)
O2^v—Rb1B—O2	60.53 (12)	Al1^xxiv—O2—Rb1	129.55 (6)
O2^i—Rb1B—O2	124.9 (4)	Rb1B^ii—O2—Rb1	5.3 (2)
O3^v—Rb1B—O2	64.17 (4)	Rb1B—O2—Rb1	7.8 (3)
O3^i—Rb1B—O2	115.96 (4)	As—O3—Rb2	131.41 (7)
Rb1B^i—Rb1B—O2^iv	57.9 (3)	As—O3—Rb1B	106.02 (8)
Rb1B^ii—Rb1B—O2^iv	115.9 (3)	Rb2—O3—Rb1B	98.0 (2)
O3—Rb1B—O2^iv	133.4 (2)	As—O3—Rb1B^ii	98.1 (3)
O3^iv—Rb1B—O2^iv	49.44 (4)	Rb2—O3—Rb1B^ii	94.79 (8)
O2^v—Rb1B—O2^iv	124.9 (4)	Rb1B—O3—Rb1B^ii	14.7 (6)
O2^i—Rb1B—O2^iv	60.53 (12)	As—O3—Rb1	105.09 (7)
O3^v—Rb1B—O2^iv	115.96 (4)	Rb2—O3—Rb1	93.24 (4)
O3^i—Rb1B—O2^iv	64.18 (4)	Rb1B—O3—Rb1	7.8 (3)
O2—Rb1B—O2^iv	173.8 (6)	Rb1B^ii—O3—Rb1	8.3 (3)
Rb1B^i—Rb1B—O3^iii	46.09 (16)	As—O3—Rb1B^i	110.4 (2)
Rb1B^ii—Rb1B—O3^iii	57.80 (15)	Rb2—O3—Rb1B^i	87.8 (2)
O3—Rb1B—O3^iii	150.9 (5)	Rb1B—O3—Rb1B^i	11.0 (4)
O3^iv—Rb1B—O3^iii	67.31 (12)	Rb1B^ii—O3—Rb1B^i	12.4 (5)
O2^v—Rb1B—O3^iii	115.71 (4)	Rb1—O3—Rb1B^i	5.9 (2)
O2^i—Rb1B—O3^iii	127.60 (3)	As—O3—Rb2^xii	82.85 (5)
O3^v—Rb1B—O3^iii	65.88 (16)	Rb2—O3—Rb2^xii	97.27 (5)
O3^i—Rb1B—O3^iii	115.8 (4)	Rb1B—O3—Rb2^xii	149.5 (3)
O2—Rb1B—O3^iii	106.6 (3)	Rb1B^ii—O3—Rb2^xii	162.9 (2)
O2^iv—Rb1B—O3^iii	68.78 (17)	Rb1—O3—Rb2^xii	157.18 (5)
Rb1B^i—Rb1B—O3^ii	57.80 (18)	Rb1B^i—O3—Rb2^xii	157.20 (5)
Rb1B^ii—Rb1B—O3^ii	46.09 (15)	As—O3—H	109 (3)
O3—Rb1B—O3^ii	67.31 (12)	Rb2—O3—H	116 (3)
O3^iv—Rb1B—O3^ii	150.9 (5)	Rb1B—O3—H	81 (3)
O2^v—Rb1B—O3^ii	127.60 (4)	Rb1B^ii—O3—H	95 (3)
O2^i—Rb1B—O3^ii	115.71 (4)	Rb1—O3—H	88 (3)
O3^v—Rb1B—O3^ii	115.8 (4)	Rb1B^i—O3—H	89 (3)
O3^i—Rb1B—O3^ii	65.88 (16)	Rb2^xii—O3—H	69 (3)
O2—Rb1B—O3^ii	68.78 (17)	As^iv—O4—Al1^xxiii	130.71 (7)
O2^iv—Rb1B—O3^ii	106.6 (3)	As^iv—O4—Rb2^xxv	86.62 (5)
O3^iii—Rb1B—O3^ii	89.9 (4)	Al1^xxiii—O4—Rb2^xxv	99.77 (5)

Symmetry codes: (i) −y, x−y, z; (ii) −x+y, −x, z; (iii) x−y, −y, −z+3/2; (iv) −x, −x+y, −z+3/2; (v) y, x, −z+3/2; (vi) −x+2/3, −y−2/3, −z+4/3; (vii) x−y−4/3, x−2/3, −z+4/3; (viii) y+2/3, −x+y+4/3, −z+4/3; (ix) x−1/3, x−y−2/3, z−1/6; (x) −y−1/3, −x+1/3, z−1/6; (xi) −x+y+2/3, y+1/3, z−1/6; (xii) −x−1/3, −y−2/3, −z+4/3; (xiii) y+2/3, −x+y+1/3, −z+4/3; (xiv) x−y−1/3, x+1/3, −z+4/3; (xv) −y, x−y+1, z; (xvi) x+1, y+1, z; (xvii) x, y+1, z; (xviii) −x+y+1, −x+1, z; (xix) −x+2/3, −y+1/3, −z+4/3; (xx) x−1, y, z; (xxi) −y+1/3, −x+2/3, z+1/6; (xxii) x+1, y, z; (xxiii) x, y−1, z; (xxiv) x−1, y−1, z; (xxv) −y+1/3, −x−1/3, z+1/6.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H···O4^xxvi	0.81 (3)	1.82 (3)	2.6035 (19)	161 (4)

Symmetry code: (xxvi) y, x−1, −z+3/2.

Rubidium aluminium bis[hydrogen arsenate(V)] (rbalr32)

Crystal data

RbAl(HAsO4)2	Dx = 3.699 Mg m^−3
Mr = 392.31	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R32:H	Cell parameters from 1294 reflections
a = 8.324 (1) Å	θ = 2.3–32.6°
c = 26.416 (5) Å	µ = 16.48 mm^−1
V = 1585.1 (5) Å^3	T = 293 K
Z = 9	Large pseudooctahedral, colourless
F(000) = 1638	0.15 × 0.15 × 0.08 mm

Data collection

Nonius KappaCCD single-crystal four-circle diffractometer	1287 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.016
φ and ω scans	θmax = 32.6°, θmin = 2.3°
Absorption correction: multi-scan (SCALEPACK; Otwinowski et al., 2003)	h = −12→12
Tmin = 0.191, Tmax = 0.352	k = −10→10
2533 measured reflections	l = −38→39
1293 independent reflections

Refinement

Refinement on F^2	All H-atom parameters refined
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0256P)^2 + 3.3006P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.018	(Δ/σ)max = 0.001
wR(F^2) = 0.046	Δρmax = 0.92 e Å^−3
S = 1.18	Δρmin = −1.47 e Å^−3
1293 reflections	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
69 parameters	Extinction coefficient: 0.0043 (2)
2 restraints	Absolute structure: Refined as an inversion twin.
Hydrogen site location: difference Fourier map	Absolute structure parameter: 0.052 (14)

Special details

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. Refined as a 2-component inversion twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Rb1	0.333333	0.666667	0.166667	0.029 (3)	0.778 (4)
Rb1B	0.297 (9)	0.631 (9)	0.166667	0.028 (5)	0.0740 (12)
Rb2	0.666667	0.333333	0.00006 (2)	0.02367 (15)
Al1	0.000000	0.000000	0.17580 (5)	0.0053 (2)
Al2	0.000000	0.000000	0.000000	0.0058 (3)
As	0.29456 (4)	0.22678 (4)	0.09237 (2)	0.00551 (9)
O1	0.2193 (3)	0.1026 (4)	0.03977 (7)	0.0122 (4)
O2	0.1409 (3)	0.2131 (3)	0.13540 (7)	0.0083 (4)
O3	0.4604 (3)	0.1872 (3)	0.11471 (7)	0.0077 (3)
O4	0.4094 (3)	0.4597 (3)	0.07503 (9)	0.0137 (4)
H	0.521 (7)	0.531 (9)	0.084 (2)	0.046 (19)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Rb1	0.035 (5)	0.035 (5)	0.016 (2)	0.018 (3)	0.000	0.000
Rb1B	0.034 (13)	0.034 (13)	0.025 (10)	0.024 (18)	0.003 (2)	−0.003 (2)
Rb2	0.0292 (2)	0.0292 (2)	0.0126 (2)	0.01460 (10)	0.000	0.000
Al1	0.0063 (3)	0.0063 (3)	0.0034 (5)	0.00316 (17)	0.000	0.000
Al2	0.0075 (5)	0.0075 (5)	0.0025 (7)	0.0037 (3)	0.000	0.000
As	0.00516 (13)	0.00772 (13)	0.00356 (13)	0.00316 (10)	−0.00010 (9)	0.00041 (8)
O1	0.0120 (9)	0.0192 (10)	0.0053 (8)	0.0077 (8)	−0.0028 (7)	−0.0046 (8)
O2	0.0092 (8)	0.0100 (8)	0.0061 (8)	0.0053 (7)	0.0025 (6)	0.0010 (6)
O3	0.0074 (8)	0.0083 (8)	0.0084 (8)	0.0048 (6)	−0.0033 (7)	−0.0021 (6)
O4	0.0092 (9)	0.0103 (9)	0.0183 (10)	0.0023 (8)	−0.0012 (8)	0.0062 (7)

Geometric parameters (Å, º)

Rb1—Rb1B^i	0.30 (8)	Rb2—O4^viii	2.897 (2)
Rb1—Rb1B^ii	0.30 (8)	Rb2—O1^ix	3.392 (2)
Rb1—O4^iii	3.212 (3)	Rb2—O1	3.392 (2)
Rb1—O4^iv	3.212 (3)	Rb2—O1^x	3.392 (2)
Rb1—O4^v	3.212 (3)	Rb2—O3^ix	3.393 (2)
Rb1—O4^i	3.212 (3)	Rb2—O3	3.393 (2)
Rb1—O4	3.212 (3)	Rb2—O3^x	3.393 (2)
Rb1—O4^ii	3.212 (3)	Rb2—O4^ix	3.445 (3)
Rb1—O2^i	3.384 (2)	Rb2—O4^x	3.445 (3)
Rb1—O2^iv	3.384 (2)	Rb2—O4	3.445 (3)
Rb1—O2^iii	3.384 (2)	Al1—O2^xi	1.892 (2)
Rb1—O2^v	3.384 (2)	Al1—O2^xii	1.892 (2)
Rb1—H	3.20 (6)	Al1—O2	1.892 (2)
Rb1B—Rb1B^i	0.52 (13)	Al1—O3^v	1.902 (2)
Rb1B—Rb1B^ii	0.52 (13)	Al1—O3^xiii	1.902 (2)
Rb1B—O4^v	3.08 (3)	Al1—O3^xiv	1.902 (2)
Rb1B—O4^i	3.08 (3)	Al2—O1	1.899 (2)
Rb1B—O2^iii	3.15 (6)	Al2—O1^xv	1.899 (2)
Rb1B—O2	3.15 (6)	Al2—O1^xi	1.899 (2)
Rb1B—O4^iii	3.175 (6)	Al2—O1^xii	1.899 (2)
Rb1B—O4	3.175 (6)	Al2—O1^xvi	1.899 (2)
Rb1B—O2^i	3.372 (2)	Al2—O1^viii	1.899 (2)
Rb1B—O2^v	3.372 (2)	As—O1	1.656 (2)
Rb1B—O4^iv	3.41 (5)	As—O2	1.672 (2)
Rb1B—O4^ii	3.41 (5)	As—O3	1.6782 (19)
Rb1B—H	3.24 (6)	As—O4	1.740 (2)
Rb2—O4^vi	2.897 (2)	O4—H	0.85 (5)
Rb2—O4^vii	2.897 (2)
Rb1B^i—Rb1—Rb1B^ii	120.00 (7)	O1^ix—Rb2—O1	110.89 (3)
Rb1B^i—Rb1—O4^iii	62.27 (6)	O4^vi—Rb2—O1^x	152.20 (6)
Rb1B^ii—Rb1—O4^iii	129.40 (4)	O4^vii—Rb2—O1^x	74.39 (6)
Rb1B^i—Rb1—O4^iv	80.22 (7)	O4^viii—Rb2—O1^x	91.13 (6)
Rb1B^ii—Rb1—O4^iv	62.27 (5)	O1^ix—Rb2—O1^x	110.89 (3)
O4^iii—Rb1—O4^iv	69.40 (6)	O1—Rb2—O1^x	110.89 (3)
Rb1B^i—Rb1—O4^v	129.40 (5)	O4^vi—Rb2—O3^ix	116.09 (6)
Rb1B^ii—Rb1—O4^v	80.22 (6)	O4^vii—Rb2—O3^ix	117.00 (6)
O4^iii—Rb1—O4^v	69.40 (6)	O4^viii—Rb2—O3^ix	159.98 (6)
O4^iv—Rb1—O4^v	69.40 (6)	O1^ix—Rb2—O3^ix	46.00 (5)
Rb1B^i—Rb1—O4^i	80.24 (7)	O1—Rb2—O3^ix	90.77 (5)
Rb1B^ii—Rb1—O4^i	129.42 (4)	O1^x—Rb2—O3^ix	81.55 (5)
O4^iii—Rb1—O4^i	101.18 (8)	O4^vi—Rb2—O3	117.00 (6)
O4^iv—Rb1—O4^i	160.46 (8)	O4^vii—Rb2—O3	159.98 (6)
O4^v—Rb1—O4^i	124.56 (8)	O4^viii—Rb2—O3	116.09 (6)
Rb1B^i—Rb1—O4	129.42 (4)	O1^ix—Rb2—O3	81.55 (5)
Rb1B^ii—Rb1—O4	62.28 (5)	O1—Rb2—O3	46.00 (5)
O4^iii—Rb1—O4	160.46 (8)	O1^x—Rb2—O3	90.77 (5)
O4^iv—Rb1—O4	124.56 (8)	O3^ix—Rb2—O3	45.96 (6)
O4^v—Rb1—O4	101.18 (8)	O4^vi—Rb2—O3^x	159.98 (6)
O4^i—Rb1—O4	69.41 (6)	O4^vii—Rb2—O3^x	116.09 (6)
Rb1B^i—Rb1—O4^ii	62.28 (6)	O4^viii—Rb2—O3^x	117.00 (6)
Rb1B^ii—Rb1—O4^ii	80.24 (6)	O1^ix—Rb2—O3^x	90.77 (5)
O4^iii—Rb1—O4^ii	124.56 (8)	O1—Rb2—O3^x	81.55 (5)
O4^iv—Rb1—O4^ii	101.18 (8)	O1^x—Rb2—O3^x	46.00 (5)
O4^v—Rb1—O4^ii	160.46 (8)	O3^ix—Rb2—O3^x	45.96 (6)
O4^i—Rb1—O4^ii	69.41 (6)	O3—Rb2—O3^x	45.96 (6)
O4—Rb1—O4^ii	69.41 (6)	O4^vi—Rb2—O4^ix	78.37 (7)
Rb1B^i—Rb1—O2^i	37.41 (8)	O4^vii—Rb2—O4^ix	136.50 (3)
Rb1B^ii—Rb1—O2^i	151.52 (7)	O4^viii—Rb2—O4^ix	131.06 (3)
O4^iii—Rb1—O2^i	63.64 (5)	O1^ix—Rb2—O4^ix	47.23 (5)
O4^iv—Rb1—O2^i	113.73 (5)	O1—Rb2—O4^ix	63.74 (6)
O4^v—Rb1—O2^i	126.39 (5)	O1^x—Rb2—O4^ix	126.03 (5)
O4^i—Rb1—O2^i	47.78 (5)	O3^ix—Rb2—O4^ix	46.83 (5)
O4—Rb1—O2^i	114.54 (5)	O3—Rb2—O4^ix	44.71 (5)
O4^ii—Rb1—O2^i	72.84 (5)	O3^x—Rb2—O4^ix	81.68 (5)
Rb1B^i—Rb1—O2^iv	37.40 (8)	O4^vi—Rb2—O4^x	131.06 (3)
Rb1B^ii—Rb1—O2^iv	85.15 (7)	O4^vii—Rb2—O4^x	78.37 (7)
O4^iii—Rb1—O2^iv	72.84 (5)	O4^viii—Rb2—O4^x	136.50 (3)
O4^iv—Rb1—O2^iv	47.78 (5)	O1^ix—Rb2—O4^x	63.74 (6)
O4^v—Rb1—O2^iv	114.54 (5)	O1—Rb2—O4^x	126.03 (5)
O4^i—Rb1—O2^iv	113.73 (5)	O1^x—Rb2—O4^x	47.23 (5)
O4—Rb1—O2^iv	126.39 (5)	O3^ix—Rb2—O4^x	44.71 (5)
O4^ii—Rb1—O2^iv	63.64 (5)	O3—Rb2—O4^x	81.68 (5)
O2^i—Rb1—O2^iv	74.81 (7)	O3^x—Rb2—O4^x	46.83 (5)
Rb1B^i—Rb1—O2^iii	85.15 (9)	O4^ix—Rb2—O4^x	90.25 (5)
Rb1B^ii—Rb1—O2^iii	151.51 (6)	O4^vi—Rb2—O4	136.50 (3)
O4^iii—Rb1—O2^iii	47.78 (5)	O4^vii—Rb2—O4	131.06 (3)
O4^iv—Rb1—O2^iii	114.54 (5)	O4^viii—Rb2—O4	78.37 (7)
O4^v—Rb1—O2^iii	72.84 (5)	O1^ix—Rb2—O4	126.03 (5)
O4^i—Rb1—O2^iii	63.64 (5)	O1—Rb2—O4	47.23 (5)
O4—Rb1—O2^iii	113.73 (5)	O1^x—Rb2—O4	63.74 (6)
O4^ii—Rb1—O2^iii	126.39 (5)	O3^ix—Rb2—O4	81.68 (5)
O2^i—Rb1—O2^iii	56.98 (7)	O3—Rb2—O4	46.83 (5)
O2^iv—Rb1—O2^iii	114.25 (2)	O3^x—Rb2—O4	44.71 (5)
Rb1B^i—Rb1—O2^v	151.50 (8)	O4^ix—Rb2—O4	90.24 (5)
Rb1B^ii—Rb1—O2^v	37.40 (7)	O4^x—Rb2—O4	90.24 (5)
O4^iii—Rb1—O2^v	114.54 (5)	O2^xi—Al1—O2^xii	91.32 (9)
O4^iv—Rb1—O2^v	72.84 (5)	O2^xi—Al1—O2	91.32 (9)
O4^v—Rb1—O2^v	47.78 (5)	O2^xii—Al1—O2	91.32 (9)
O4^i—Rb1—O2^v	126.39 (5)	O2^xi—Al1—O3^v	176.75 (9)
O4—Rb1—O2^v	63.64 (5)	O2^xii—Al1—O3^v	88.51 (8)
O4^ii—Rb1—O2^v	113.73 (5)	O2—Al1—O3^v	91.93 (9)
O2^i—Rb1—O2^v	170.30 (7)	O2^xi—Al1—O3^xiii	88.51 (9)
O2^iv—Rb1—O2^v	114.25 (3)	O2^xii—Al1—O3^xiii	91.93 (9)
O2^iii—Rb1—O2^v	114.25 (2)	O2—Al1—O3^xiii	176.75 (9)
Rb1B^i—Rb1—H	126.7 (13)	O3^v—Al1—O3^xiii	88.26 (10)
Rb1B^ii—Rb1—H	48.4 (9)	O2^xi—Al1—O3^xiv	91.93 (9)
O4^iii—Rb1—H	171.1 (13)	O2^xii—Al1—O3^xiv	176.75 (9)
O4^iv—Rb1—H	110.4 (8)	O2—Al1—O3^xiv	88.51 (9)
O4^v—Rb1—H	101.9 (12)	O3^v—Al1—O3^xiv	88.25 (10)
O4^i—Rb1—H	81.7 (9)	O3^xiii—Al1—O3^xiv	88.25 (10)
O4—Rb1—H	15.1 (8)	O2^xi—Al1—Rb2^xiii	124.33 (7)
O4^ii—Rb1—H	64.4 (12)	O2^xii—Al1—Rb2^xiii	124.33 (7)
O2^i—Rb1—H	122.8 (11)	O2—Al1—Rb2^xiii	124.33 (7)
O2^iv—Rb1—H	114.0 (11)	O3^v—Al1—Rb2^xiii	53.51 (7)
O2^iii—Rb1—H	128.6 (9)	O3^xiii—Al1—Rb2^xiii	53.51 (7)
O2^v—Rb1—H	57.9 (11)	O3^xiv—Al1—Rb2^xiii	53.51 (7)
Rb1B^i—Rb1B—Rb1B^ii	60.00 (8)	O1—Al2—O1^xv	176.47 (16)
Rb1B^i—Rb1B—O4^v	125.3 (11)	O1—Al2—O1^xi	92.35 (9)
Rb1B^ii—Rb1B—O4^v	95.4 (12)	O1^xv—Al2—O1^xi	90.25 (15)
Rb1B^i—Rb1B—O4^i	95.4 (12)	O1—Al2—O1^xii	92.35 (9)
Rb1B^ii—Rb1B—O4^i	125.3 (11)	O1^xv—Al2—O1^xii	85.16 (14)
O4^v—Rb1B—O4^i	134 (3)	O1^xi—Al2—O1^xii	92.35 (9)
Rb1B^i—Rb1B—O2^iii	111.0 (9)	O1—Al2—O1^xvi	85.16 (14)
Rb1B^ii—Rb1B—O2^iii	162.8 (7)	O1^xv—Al2—O1^xvi	92.35 (9)
O4^v—Rb1B—O2^iii	77.8 (13)	O1^xi—Al2—O1^xvi	176.47 (16)
O4^i—Rb1B—O2^iii	67.8 (11)	O1^xii—Al2—O1^xvi	90.25 (15)
Rb1B^i—Rb1B—O2	162.8 (7)	O1—Al2—O1^viii	90.25 (15)
Rb1B^ii—Rb1B—O2	111.0 (9)	O1^xv—Al2—O1^viii	92.35 (9)
O4^v—Rb1B—O2	67.8 (11)	O1^xi—Al2—O1^viii	85.16 (14)
O4^i—Rb1B—O2	77.8 (13)	O1^xii—Al2—O1^viii	176.47 (16)
O2^iii—Rb1B—O2	81.4 (18)	O1^xvi—Al2—O1^viii	92.35 (9)
Rb1B^i—Rb1B—O4^iii	75.3 (13)	O1—As—O2	119.35 (11)
Rb1B^ii—Rb1B—O4^iii	112.9 (12)	O1—As—O3	105.32 (11)
O4^v—Rb1B—O4^iii	71.5 (5)	O2—As—O3	115.06 (10)
O4^i—Rb1B—O4^iii	104.9 (8)	O1—As—O4	107.46 (12)
O2^iii—Rb1B—O4^iii	50.0 (5)	O2—As—O4	103.30 (11)
O2—Rb1B—O4^iii	122 (2)	O3—As—O4	105.29 (11)
Rb1B^i—Rb1B—O4	112.9 (12)	O1—As—Rb2	66.75 (8)
Rb1B^ii—Rb1B—O4	75.3 (13)	O2—As—Rb2	171.34 (7)
O4^v—Rb1B—O4	104.9 (8)	O3—As—Rb2	66.74 (7)
O4^i—Rb1B—O4	71.5 (5)	O4—As—Rb2	68.31 (8)
O2^iii—Rb1B—O4	122 (2)	O1—As—Rb1B	143.2 (3)
O2—Rb1B—O4	50.0 (5)	O2—As—Rb1B	52.3 (10)
O4^iii—Rb1B—O4	171 (3)	O3—As—Rb1B	110.0 (6)
Rb1B^i—Rb1B—O2^i	60.8 (13)	O4—As—Rb1B	53.6 (8)
Rb1B^ii—Rb1B—O2^i	118.8 (12)	Rb2—As—Rb1B	119.0 (10)
O4^v—Rb1B—O2^i	131.5 (11)	O1—As—Rb1B^ii	146.8 (7)
O4^i—Rb1B—O2^i	48.72 (19)	O2—As—Rb1B^ii	58.8 (7)
O2^iii—Rb1B—O2^i	59.2 (5)	O3—As—Rb1B^ii	104.2 (10)
O2—Rb1B—O2^i	121.2 (18)	O4—As—Rb1B^ii	49.4 (3)
O4^iii—Rb1B—O2^i	64.15 (8)	Rb2—As—Rb1B^ii	112.6 (7)
O4—Rb1B—O2^i	115.88 (17)	Rb1B—As—Rb1B^ii	8 (2)
Rb1B^i—Rb1B—O2^v	118.8 (12)	O1—As—Rb1	144.14 (9)
Rb1B^ii—Rb1B—O2^v	60.8 (13)	O2—As—Rb1	55.99 (7)
O4^v—Rb1B—O2^v	48.72 (19)	O3—As—Rb1	107.90 (7)
O4^i—Rb1B—O2^v	131.5 (11)	O4—As—Rb1	50.58 (9)
O2^iii—Rb1B—O2^v	121.2 (18)	Rb2—As—Rb1	115.375 (9)
O2—Rb1B—O2^v	59.2 (5)	Rb1B—As—Rb1	3.8 (10)
O4^iii—Rb1B—O2^v	115.88 (17)	Rb1B^ii—As—Rb1	4.0 (11)
O4—Rb1B—O2^v	64.15 (8)	As—O1—Al2	136.33 (14)
O2^i—Rb1B—O2^v	180 (3)	As—O1—Rb2	86.59 (9)
Rb1B^i—Rb1B—O4^iv	59.1 (7)	Al2—O1—Rb2	128.31 (9)
Rb1B^ii—Rb1B—O4^iv	47.6 (7)	As—O2—Al1	122.80 (12)
O4^v—Rb1B—O4^iv	68.3 (4)	As—O2—Rb1B	102.9 (8)
O4^i—Rb1B—O4^iv	154.2 (18)	Al1—O2—Rb1B	127.4 (6)
O2^iii—Rb1B—O4^iv	115.45 (12)	As—O2—Rb1B^ii	96.1 (10)
O2—Rb1B—O4^iv	127.58 (17)	Al1—O2—Rb1B^ii	130.5 (3)
O4^iii—Rb1B—O4^iv	67.4 (6)	Rb1B—O2—Rb1B^ii	8 (2)
O4—Rb1B—O4^iv	119.4 (14)	As—O2—Rb1	99.84 (8)
O2^i—Rb1B—O4^iv	109.1 (12)	Al1—O2—Rb1	129.34 (9)
O2^v—Rb1B—O4^iv	70.6 (6)	Rb1B—O2—Rb1	3.3 (9)
Rb1B^i—Rb1B—O4^ii	47.6 (7)	Rb1B^ii—O2—Rb1	5.1 (13)
Rb1B^ii—Rb1B—O4^ii	59.1 (7)	As—O3—Al1^xvii	130.68 (11)
O4^v—Rb1B—O4^ii	154.2 (18)	As—O3—Rb2	86.23 (8)
O4^i—Rb1B—O4^ii	68.3 (4)	Al1^xvii—O3—Rb2	99.70 (9)
O2^iii—Rb1B—O4^ii	127.58 (17)	As—O4—Rb2^viii	132.93 (11)
O2—Rb1B—O4^ii	115.46 (12)	As—O4—Rb1B^ii	105.26 (18)
O4^iii—Rb1B—O4^ii	119.4 (14)	Rb2^viii—O4—Rb1B^ii	95.1 (8)
O4—Rb1B—O4^ii	67.4 (6)	As—O4—Rb1B	100.3 (12)
O2^i—Rb1B—O4^ii	70.6 (6)	Rb2^viii—O4—Rb1B	93.1 (3)
O2^v—Rb1B—O4^ii	109.1 (12)	Rb1B^ii—O4—Rb1B	9 (2)
O4^iv—Rb1B—O4^ii	93.4 (19)	As—O4—Rb1	104.69 (10)
Rb1B^i—Rb1B—H	102.9 (17)	Rb2^viii—O4—Rb1	92.10 (7)
Rb1B^ii—Rb1B—H	60.2 (15)	Rb1B^ii—O4—Rb1	4.9 (13)
O4^v—Rb1B—H	104.1 (13)	Rb1B—O4—Rb1	5.3 (14)
O4^i—Rb1B—H	83.1 (9)	As—O4—Rb1B^i	108.2 (8)
O2^iii—Rb1B—H	137 (2)	Rb2^viii—O4—Rb1B^i	88.5 (9)
O2—Rb1B—H	60.8 (12)	Rb1B^ii—O4—Rb1B^i	7.1 (18)
O4^iii—Rb1B—H	171.9 (18)	Rb1B—O4—Rb1B^i	8 (2)
O4—Rb1B—H	15.1 (8)	Rb1—O4—Rb1B^i	3.9 (9)
O2^i—Rb1B—H	122.2 (12)	As—O4—Rb2	83.69 (9)
O2^v—Rb1B—H	57.8 (11)	Rb2^viii—O4—Rb2	98.16 (7)
O4^iv—Rb1B—H	104.8 (17)	Rb1B^ii—O4—Rb2	151.5 (13)
O4^ii—Rb1B—H	61.8 (14)	Rb1B—O4—Rb2	160.4 (9)
O4^vi—Rb2—O4^vii	78.28 (8)	Rb1—O4—Rb2	156.38 (7)
O4^vi—Rb2—O4^viii	78.28 (8)	Rb1B^i—O4—Rb2	156.51 (9)
O4^vii—Rb2—O4^viii	78.28 (8)	As—O4—H	120 (5)
O4^vi—Rb2—O1^ix	74.39 (6)	Rb2^viii—O4—H	105 (5)
O4^vii—Rb2—O1^ix	91.13 (6)	Rb1B^ii—O4—H	77 (4)
O4^viii—Rb2—O1^ix	152.20 (6)	Rb1B—O4—H	86 (4)
O4^vi—Rb2—O1	91.13 (6)	Rb1—O4—H	82 (4)
O4^vii—Rb2—O1	152.19 (6)	Rb1B^i—O4—H	81 (4)
O4^viii—Rb2—O1	74.39 (6)	Rb2—O4—H	75 (4)

Symmetry codes: (i) −x+y, −x+1, z; (ii) −y+1, x−y+1, z; (iii) y−1/3, x+1/3, −z+1/3; (iv) x−y+2/3, −y+4/3, −z+1/3; (v) −x+2/3, −x+y+1/3, −z+1/3; (vi) −x+1, −x+y, −z; (vii) x−y+1, −y+1, −z; (viii) y, x, −z; (ix) −y+1, x−y, z; (x) −x+y+1, −x+1, z; (xi) −y, x−y, z; (xii) −x+y, −x, z; (xiii) y−1/3, x−2/3, −z+1/3; (xiv) x−y−1/3, −y+1/3, −z+1/3; (xv) −x, −x+y, −z; (xvi) x−y, −y, −z; (xvii) y+2/3, x+1/3, −z+1/3.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O4—H···O3^x	0.85 (5)	1.87 (5)	2.601 (3)	144 (7)

Symmetry code: (x) −x+y+1, −x+1, z.