Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties

Three caesium-bearing borophosphates, Cs[BP₂O₆(OH)₂] (I), Cs_0.51Mn_1.17(H₂O)₂[BP₂O₈]·0.45H₂O (II) and CsMn[BP₂O₈(OH)] (III), were synthesized by a hydro­thermal method at 473–523 K. Their crystal structures have been studied by means of single-crystal X-ray diffraction; all three structures comprise borophosphate chain anions with a B:P ratio of 1:2. The unique construction of (I) is based on four-membered-ring chains running parallel to the [010] direction. These protonated borophosphate chains are linked via hydrogen-bond interactions to form a 3D framework with caesium cations incorporated. (II) is the first Cs and Mn²⁺,Mn³⁺ member of a known family characterized by [BP₂O₈]_∞ helical chains running along [001]. These chains are connected through MnO₄(H₂O)₂ octahedra to form a 3D framework. The caesium cations are disordered over two independent positions in the channels, which they occupy together with water molecules. An additional MnO₂(H₂O)₃ bipyramid statistically shares a common edge and two corners with three main Mn octahedra to form tetrameric clusters. The topological relation between the chain anionic fragments of (I) and (II) as well as the structural relation between (I) and previously studied boro- and berillophosphates are discussed. Compound (III) presents the first Mn member of the A^IM^III[BP₂O₈(OH)] family and is characterized by a 3D framework built by open-branched borophosphate chains and MnO₅ semi-octahedra sharing vertices. The measurements of thermodynamic properties, i.e. magnetization M and specific heat C_p, to 2 K and 30 T, provide evidence that (II) orders antiferromagnetically at the Néel temperature T_N = 4.6 K and exhibits a plateau-like feature under the action of an external magnetic field accompanied by a pronounced magnetocaloric effect.

Computing details

For all structures, data collection: CrysAlis PRO, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01); cell refinement: CrysAlis PRO, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01); data reduction: CrysAlis PRO, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01); program(s) used to solve structure: SHELXS2014/7 (Sheldrick, 2014); program(s) used to refine structure: SHELXL2014/7 (Sheldrick, 2014); molecular graphics: DIMOND (Brandenburg, 2006).

Caesium Borodiphosphate Dihydroxide (I)

Crystal data

CsBP2O6·2(OH)	F(000) = 1248
Mr = 335.68	Dx = 3.058 Mg m^−3
Monoclinic, I2/a	Mo Kα radiation, λ = 0.71073 Å
a = 13.4002 (3) Å	Cell parameters from 4596 reflections
b = 7.4869 (2) Å	θ = 3.0–31.5°
c = 14.5329 (3) Å	µ = 5.52 mm^−1
β = 90.059 (2)°	T = 293 K
V = 1458.03 (6) Å^3	Column, colourless
Z = 8	0.15 × 0.04 × 0.03 mm

Data collection

Xcalibur, Sapphire3 diffractometer	2131 independent reflections
Radiation source: Enhance (Mo) X-ray Source	1860 reflections with I > 2σ(I)
Detector resolution: 16.0630 pixels mm^-1	Rint = 0.057
ω scans	θmax = 30.0°, θmin = 2.8°
Absorption correction: gaussian CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	h = −18→18
Tmin = 0.623, Tmax = 0.849	k = −10→10
13818 measured reflections	l = −20→20

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.034	Hydrogen site location: difference Fourier map
wR(F^2) = 0.068	All H-atom parameters refined
S = 1.13	w = 1/[σ^2(Fo^2) + (0.0236P)^2 + 1.5157P] where P = (Fo^2 + 2Fc^2)/3
2131 reflections	(Δ/σ)max = 0.001
121 parameters	Δρmax = 0.51 e Å^−3
3 restraints	Δρmin = −1.23 e Å^−3

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)
Cs	0.00148 (2)	0.78611 (3)	0.38132 (2)	0.02416 (9)
P1	0.32305 (6)	0.79767 (12)	0.35589 (6)	0.01000 (17)
P2	0.15775 (7)	0.27215 (12)	0.36445 (6)	0.01084 (18)
O1	0.33561 (18)	0.6462 (3)	0.28353 (16)	0.0121 (5)
O2	0.24808 (18)	0.3909 (3)	0.34164 (16)	0.0140 (5)
O3	0.35369 (18)	0.3753 (3)	0.20954 (17)	0.0144 (5)
O4	0.42075 (18)	0.8173 (3)	0.40622 (17)	0.0150 (5)
O5	0.30675 (18)	0.9732 (3)	0.29941 (16)	0.0128 (5)
O6	0.23446 (19)	0.7626 (3)	0.41701 (17)	0.0163 (5)
O7	0.0611 (2)	0.3812 (3)	0.36044 (19)	0.0195 (6)
O8	0.1710 (2)	0.1918 (4)	0.45877 (18)	0.0227 (6)
B	0.2801 (3)	0.4862 (5)	0.2582 (3)	0.0105 (7)
H1	0.260 (7)	0.760 (9)	0.476 (3)	0.03 (3)*	0.5
H2	0.008 (3)	0.314 (8)	0.382 (4)	0.09 (3)*
H3	0.236 (3)	0.199 (11)	0.478 (8)	0.04 (3)*	0.5

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cs	0.02269 (14)	0.02400 (15)	0.02581 (14)	0.00433 (10)	0.00152 (10)	0.00039 (10)
P1	0.0092 (4)	0.0115 (4)	0.0093 (4)	0.0001 (3)	−0.0013 (3)	−0.0016 (3)
P2	0.0101 (4)	0.0110 (4)	0.0114 (4)	−0.0013 (3)	0.0009 (3)	−0.0014 (3)
O1	0.0114 (12)	0.0087 (11)	0.0161 (12)	−0.0027 (9)	0.0014 (10)	−0.0039 (9)
O2	0.0138 (12)	0.0144 (12)	0.0138 (12)	−0.0053 (9)	−0.0014 (10)	0.0022 (9)
O3	0.0117 (12)	0.0125 (12)	0.0190 (13)	0.0013 (9)	0.0005 (10)	−0.0062 (10)
O4	0.0108 (12)	0.0171 (13)	0.0172 (13)	0.0004 (9)	−0.0059 (10)	−0.0042 (9)
O5	0.0129 (12)	0.0092 (11)	0.0163 (12)	−0.0014 (9)	−0.0046 (10)	0.0012 (9)
O6	0.0135 (13)	0.0247 (14)	0.0105 (11)	−0.0013 (10)	0.0023 (10)	−0.0008 (10)
O7	0.0132 (13)	0.0131 (13)	0.0323 (15)	0.0023 (10)	0.0065 (12)	−0.0025 (11)
O8	0.0239 (15)	0.0301 (16)	0.0140 (13)	−0.0067 (12)	−0.0004 (12)	0.0067 (11)
B	0.0104 (17)	0.0098 (17)	0.0113 (17)	0.0003 (14)	−0.0007 (15)	−0.0006 (13)

Geometric parameters (Å, º)

Cs—O7	3.150 (3)	P2—Cs^ix	4.1599 (9)
Cs—O6	3.169 (3)	P2—Cs^x	4.2057 (9)
Cs—O4^i	3.181 (2)	O1—B	1.458 (4)
Cs—O4^ii	3.266 (2)	O1—Cs^iii	3.282 (2)
Cs—O1^iii	3.282 (2)	O2—B	1.471 (4)
Cs—O8^iv	3.283 (3)	O2—Cs^xi	3.690 (2)
Cs—O5^i	3.386 (2)	O3—B	1.471 (4)
Cs—O3^v	3.407 (2)	O3—P2^viii	1.549 (2)
Cs—O3^iii	3.456 (3)	O3—Cs^xi	3.406 (2)
Cs—O7^vi	3.681 (3)	O3—Cs^iii	3.456 (2)
Cs—O2^v	3.690 (2)	O4—Cs^vii	3.181 (2)
Cs—P1^i	3.9449 (9)	O4—Cs^ii	3.266 (2)
P1—O4	1.506 (2)	O5—B^iii	1.465 (4)
P1—O6	1.506 (3)	O5—Cs^vii	3.386 (2)
P1—O1	1.556 (2)	O6—H1	0.917 (10)
P1—O5	1.564 (2)	O7—Cs^ix	3.681 (3)
P1—Cs^vii	3.9449 (9)	O7—H2	0.923 (10)
P1—Cs^iii	4.2217 (9)	O8—Cs^iv	3.283 (3)
P2—O8	1.507 (3)	O8—H3	0.919 (10)
P2—O7	1.532 (3)	B—O5^iii	1.465 (4)
P2—O2	1.538 (3)	B—Cs^iii	3.949 (4)
P2—O3^viii	1.549 (2)
O7—Cs—O6	73.28 (7)	O6—P1—O1	110.95 (14)
O7—Cs—O4^i	174.69 (7)	O4—P1—O5	107.08 (14)
O6—Cs—O4^i	111.61 (6)	O6—P1—O5	110.24 (15)
O7—Cs—O4^ii	94.54 (7)	O1—P1—O5	105.82 (14)
O6—Cs—O4^ii	62.35 (6)	O4—P1—Cs^vii	49.53 (10)
O4^i—Cs—O4^ii	86.21 (6)	O6—P1—Cs^vii	124.08 (10)
O7—Cs—O1^iii	84.78 (6)	O1—P1—Cs^vii	124.96 (10)
O6—Cs—O1^iii	58.14 (6)	O5—P1—Cs^vii	57.99 (9)
O4^i—Cs—O1^iii	99.53 (6)	O4—P1—Cs^iii	85.79 (10)
O4^ii—Cs—O1^iii	117.85 (6)	O6—P1—Cs^iii	153.57 (10)
O7—Cs—O8^iv	107.19 (7)	O1—P1—Cs^iii	43.86 (9)
O6—Cs—O8^iv	125.51 (7)	O5—P1—Cs^iii	76.93 (10)
O4^i—Cs—O8^iv	68.46 (7)	Cs^vii—P1—Cs^iii	81.711 (17)
O4^ii—Cs—O8^iv	63.34 (7)	O8—P2—O7	110.24 (17)
O1^iii—Cs—O8^iv	167.98 (7)	O8—P2—O2	109.56 (14)
O7—Cs—O5^i	132.37 (6)	O7—P2—O2	110.41 (15)
O6—Cs—O5^i	147.74 (6)	O8—P2—O3^viii	111.01 (15)
O4^i—Cs—O5^i	44.04 (6)	O7—P2—O3^viii	105.70 (14)
O4^ii—Cs—O5^i	122.63 (6)	O2—P2—O3^viii	109.86 (14)
O1^iii—Cs—O5^i	100.03 (6)	O8—P2—Cs^ix	148.28 (11)
O8^iv—Cs—O5^i	71.30 (6)	O7—P2—Cs^ix	61.39 (11)
O7—Cs—O3^v	74.66 (6)	O2—P2—Cs^ix	101.74 (9)
O6—Cs—O3^v	132.23 (6)	O3^viii—P2—Cs^ix	51.05 (9)
O4^i—Cs—O3^v	102.53 (6)	O8—P2—Cs^x	70.11 (11)
O4^ii—Cs—O3^v	154.54 (6)	O7—P2—Cs^x	92.45 (10)
O1^iii—Cs—O3^v	84.63 (6)	O2—P2—Cs^x	154.77 (10)
O8^iv—Cs—O3^v	97.33 (6)	O3^viii—P2—Cs^x	51.30 (10)
O5^i—Cs—O3^v	58.94 (6)	Cs^ix—P2—Cs^x	79.445 (16)
O7—Cs—O3^iii	121.77 (6)	B—O1—P1	135.6 (2)
O6—Cs—O3^iii	63.24 (6)	B—O1—Cs^iii	106.39 (19)
O4^i—Cs—O3^iii	63.25 (6)	P1—O1—Cs^iii	116.97 (11)
O4^ii—Cs—O3^iii	97.47 (6)	B—O2—P2	133.5 (2)
O1^iii—Cs—O3^iii	39.97 (6)	B—O2—Cs^xi	91.95 (18)
O8^iv—Cs—O3^iii	129.02 (6)	P2—O2—Cs^xi	118.87 (12)
O5^i—Cs—O3^iii	84.73 (6)	B—O3—P2^viii	132.1 (2)
O3^v—Cs—O3^iii	107.85 (4)	B—O3—Cs^xi	103.75 (18)
O7—Cs—O7^vi	98.74 (6)	P2^viii—O3—Cs^xi	108.24 (11)
O6—Cs—O7^vi	112.99 (6)	B—O3—Cs^iii	98.43 (18)
O4^i—Cs—O7^vi	81.42 (6)	P2^viii—O3—Cs^iii	108.23 (12)
O4^ii—Cs—O7^vi	163.88 (6)	Cs^xi—O3—Cs^iii	102.35 (6)
O1^iii—Cs—O7^vi	54.87 (6)	P1—O4—Cs^vii	109.35 (12)
O8^iv—Cs—O7^vi	120.40 (6)	P1—O4—Cs^ii	136.76 (14)
O5^i—Cs—O7^vi	52.17 (6)	Cs^vii—O4—Cs^ii	93.79 (6)
O3^v—Cs—O7^vi	40.30 (6)	B^iii—O5—P1	125.8 (2)
O3^iii—Cs—O7^vi	67.72 (6)	B^iii—O5—Cs^vii	134.57 (19)
O7—Cs—O2^v	82.70 (6)	P1—O5—Cs^vii	98.94 (10)
O6—Cs—O2^v	155.77 (6)	P1—O6—Cs	132.11 (13)
O4^i—Cs—O2^v	92.29 (6)	P1—O6—H1	105 (6)
O4^ii—Cs—O2^v	117.78 (6)	Cs—O6—H1	121 (7)
O1^iii—Cs—O2^v	123.64 (5)	P2—O7—Cs	136.40 (14)
O8^iv—Cs—O2^v	58.70 (6)	P2—O7—Cs^ix	97.18 (12)
O5^i—Cs—O2^v	55.08 (5)	Cs—O7—Cs^ix	102.74 (7)
O3^v—Cs—O2^v	39.09 (5)	P2—O7—H2	110 (4)
O3^iii—Cs—O2^v	136.13 (5)	Cs—O7—H2	107 (4)
O7^vi—Cs—O2^v	73.23 (6)	Cs^ix—O7—H2	93 (4)
O7—Cs—P1^i	154.84 (5)	P2—O8—Cs^iv	122.79 (15)
O6—Cs—P1^i	131.00 (5)	P2—O8—H3	111 (7)
O4^i—Cs—P1^i	21.11 (4)	Cs^iv—O8—H3	117 (7)
O4^ii—Cs—P1^i	102.99 (5)	O1—B—O5^iii	112.3 (3)
O1^iii—Cs—P1^i	102.31 (4)	O1—B—O3	104.1 (3)
O8^iv—Cs—P1^i	66.40 (5)	O5^iii—B—O3	112.0 (3)
O5^i—Cs—P1^i	23.06 (4)	O1—B—O2	109.8 (3)
O3^v—Cs—P1^i	81.94 (4)	O5^iii—B—O2	109.9 (3)
O3^iii—Cs—P1^i	74.06 (4)	O3—B—O2	108.6 (3)
O7^vi—Cs—P1^i	67.68 (4)	O1—B—Cs^iii	52.88 (16)
O2^v—Cs—P1^i	73.23 (4)	O5^iii—B—Cs^iii	101.88 (19)
O4—P1—O6	114.56 (15)	O3—B—Cs^iii	59.95 (16)
O4—P1—O1	107.75 (14)	O2—B—Cs^iii	148.1 (2)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O6—H1···O6^ii	0.92 (1)	1.56 (3)	2.447 (5)	161 (10)
O7—H2···O4^v	0.92 (1)	1.57 (2)	2.489 (4)	172 (7)
O8—H3···O8^ii	0.92 (1)	1.55 (4)	2.433 (6)	160 (11)

Symmetry codes: (ii) −x+1/2, y, −z+1; (v) x−1/2, −y+1, z.

Caesium Diaquamanganese (II,III) Borodiphosphate Hydrate (II)

Crystal data

Cs0.51Mn1.17·2(H2O)·BP2O8·0.45(H2O)	Dx = 2.956 Mg m^−3
Mr = 380.66	Mo Kα radiation, λ = 0.71073 Å
Hexagonal, P6122	Cell parameters from 3809 reflections
a = 9.6292 (3) Å	θ = 3.5–23.8°
c = 15.8051 (5) Å	µ = 4.41 mm^−1
V = 1269.14 (9) Å^3	T = 293 K
Z = 6	Hexagonal bipyramide, light blue
F(000) = 1081	0.07 × 0.05 × 0.03 mm

Data collection

Xcalibur, Sapphire3 diffractometer	1242 independent reflections
Radiation source: Enhance (Mo) X-ray Source	1162 reflections with I > 2σ(I)
Detector resolution: 16.0630 pixels mm^-1	Rint = 0.109
ω scans	θmax = 30.0°, θmin = 2.8°
Absorption correction: gaussian CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	h = −13→13
Tmin = 0.746, Tmax = 0.878	k = −13→13
21747 measured reflections	l = −21→21

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)] = 0.061	All H-atom parameters refined
wR(F^2) = 0.099	w = 1/[σ^2(Fo^2) + (0.0164P)^2 + 4.9684P] where P = (Fo^2 + 2Fc^2)/3
S = 1.26	(Δ/σ)max < 0.001
1242 reflections	Δρmax = 0.64 e Å^−3
98 parameters	Δρmin = −0.52 e Å^−3
2 restraints	Absolute structure: Flack x determined using 345 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.04 (3)

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)
Cs1	0.1722 (19)	0.0685 (13)	0.0685 (7)	0.061 (9)	0.166
Cs2	0.155 (4)	0.029 (3)	0.0309 (12)	0.061 (9)	0.092
Mn1	0.55041 (8)	0.10083 (16)	0.2500	0.0144 (3)
P1	0.38237 (19)	0.16529 (18)	0.41496 (10)	0.0103 (3)
B1	0.2995 (10)	0.1498 (5)	0.5833	0.0076 (16)
O1	0.4098 (5)	0.1786 (5)	0.5125 (2)	0.0136 (9)
O2	0.2102 (5)	0.0204 (5)	0.3992 (3)	0.0140 (10)
O3	0.5092 (6)	0.1354 (6)	0.3778 (3)	0.0205 (11)
O4	0.3809 (7)	0.3098 (6)	0.3803 (3)	0.0204 (11)
O5	0.4871 (8)	0.2956 (7)	0.2154 (4)	0.0361 (15)
Mn2	0.3670 (19)	0.044 (2)	0.0745 (11)	0.040 (6)	0.083 (5)
O6	0.240 (4)	0.120 (2)	0.0833	0.068 (13)*	0.45 (4)
H1	0.541 (10)	0.351 (10)	0.173 (4)	0.05 (3)*
H2	0.501 (11)	0.358 (8)	0.256 (4)	0.04 (3)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cs1	0.038 (4)	0.071 (13)	0.083 (18)	0.034 (6)	0.028 (10)	0.059 (15)
Cs2	0.038 (4)	0.071 (13)	0.083 (18)	0.034 (6)	0.028 (10)	0.059 (15)
Mn1	0.0157 (5)	0.0135 (7)	0.0131 (6)	0.0067 (3)	0.0067 (5)	0.000
P1	0.0105 (7)	0.0109 (7)	0.0080 (6)	0.0042 (6)	0.0018 (6)	−0.0008 (6)
B1	0.007 (4)	0.006 (3)	0.010 (4)	0.0034 (19)	0.000	−0.004 (3)
O1	0.010 (2)	0.014 (2)	0.0112 (19)	0.0017 (18)	0.0016 (16)	−0.0016 (16)
O2	0.012 (2)	0.016 (2)	0.012 (2)	0.006 (2)	0.0008 (17)	0.0001 (17)
O3	0.016 (3)	0.030 (3)	0.014 (2)	0.011 (2)	0.0009 (19)	−0.006 (2)
O4	0.028 (3)	0.014 (2)	0.017 (2)	0.009 (2)	−0.001 (2)	0.0010 (19)
O5	0.046 (4)	0.025 (3)	0.038 (3)	0.018 (3)	0.017 (3)	0.002 (3)
Mn2	0.027 (9)	0.053 (12)	0.037 (10)	0.018 (8)	0.009 (8)	0.021 (8)

Geometric parameters (Å, º)

Cs1—Cs1^i	0.58 (2)	P1—O1	1.559 (4)
Cs1—O6	0.64 (3)	P1—O2	1.563 (5)
Cs1—Cs2	0.68 (2)	P1—Cs2^vi	3.79 (2)
Cs1—Cs2^i	1.24 (3)	P1—Cs1^vi	3.869 (10)
Cs1—Cs2^ii	1.77 (3)	P1—Cs2^xi	3.87 (3)
Cs1—Mn2	2.00 (2)	P1—Cs1^iii	3.932 (11)
Cs1—Mn2^i	2.25 (2)	P1—Cs1^xi	4.083 (14)
Cs1—Cs2^iii	2.33 (2)	P1—Cs2^iii	4.205 (18)
Cs1—Cs1^ii	2.45 (2)	B1—O2^iii	1.465 (7)
Cs1—O6^iv	2.90 (2)	B1—O2^xii	1.465 (7)
Cs1—Cs1^iii	3.005 (8)	B1—O1^xiii	1.471 (7)
Cs1—Cs1^iv	3.005 (8)	B1—O1	1.471 (7)
Cs1—Mn2^ii	3.16 (2)	B1—Cs2^xiv	3.91 (3)
Cs1—O2^v	3.162 (16)	B1—Cs2^xv	3.91 (3)
Cs1—O4^vi	3.186 (13)	B1—Cs1^xiv	3.944 (18)
Cs1—O5^i	3.231 (18)	B1—Cs1^xv	3.944 (18)
Cs1—O2^vi	3.241 (11)	O2—B1^iv	1.465 (7)
Cs1—O4^iv	3.257 (11)	O2—Cs2^xi	3.00 (3)
Cs1—O5^iv	3.280 (13)	O2—Cs2^vi	3.05 (2)
Cs1—O2^vii	3.318 (16)	O2—Cs1^xi	3.162 (16)
Cs1—O2^iv	3.378 (14)	O2—Cs1^vi	3.241 (11)
Cs1—O6^iii	3.470 (16)	O2—Cs1^vii	3.318 (16)
Cs1—Cs1^vi	3.55 (2)	O2—Cs1^iii	3.378 (14)
Cs1—O5	3.568 (13)	O2—Cs2^vii	3.46 (3)
Cs1—Cs2^iv	3.639 (19)	O2—Cs2^iii	3.682 (16)
Cs2—Cs2^ii	1.09 (5)	O3—Mn2^viii	2.319 (17)
Cs2—O6	1.19 (4)	O4—Mn1^iii	2.146 (5)
Cs2—Cs1^i	1.24 (3)	O4—Mn2^iii	2.401 (16)
Cs2—Cs1^ii	1.77 (3)	O4—Cs1^vi	3.186 (13)
Cs2—Cs2^i	1.90 (5)	O4—Cs2^vi	3.19 (2)
Cs2—Mn2	2.09 (3)	O4—Cs1^iii	3.257 (11)
Cs2—O6^iv	2.23 (3)	O4—Cs2^xi	3.44 (3)
Cs2—Cs1^iv	2.33 (2)	O4—Cs2^iii	3.60 (2)
Cs2—Mn2^ii	2.65 (3)	O4—Cs1^xi	3.768 (12)
Cs2—Mn2^i	2.71 (4)	O5—Mn2^iii	2.06 (2)
Cs2—Cs2^iv	2.970 (13)	O5—Mn2^i	2.344 (17)
Cs2—Cs2^iii	2.970 (13)	O5—Cs2^i	3.04 (3)
Cs2—O2^v	3.00 (3)	O5—Cs2^iii	3.05 (2)
Cs2—O5^i	3.04 (3)	O5—Cs1^i	3.231 (18)
Cs2—O2^vi	3.05 (2)	O5—Cs1^iii	3.280 (13)
Cs2—O5^iv	3.05 (2)	O5—Cs1^vi	3.671 (12)
Cs2—O4^vi	3.19 (2)	O5—H1	0.848 (13)
Cs2—O4^v	3.44 (3)	O5—H2	0.846 (13)
Cs2—O2^vii	3.46 (3)	Mn2—O6	1.71 (3)
Cs2—Mn2^iv	3.58 (3)	Mn2—O5^iv	2.06 (2)
Cs2—O4^iv	3.60 (2)	Mn2—Cs1^i	2.25 (2)
Cs2—Cs1^iii	3.639 (19)	Mn2—O3^viii	2.319 (17)
Cs2—O2^iv	3.682 (16)	Mn2—O5^i	2.344 (17)
Cs2—P1^vi	3.79 (2)	Mn2—O4^iv	2.401 (16)
Mn1—O3^viii	2.117 (4)	Mn2—Mn2^ii	2.47 (4)
Mn1—O3	2.117 (4)	Mn2—Cs2^ii	2.65 (3)
Mn1—O4^ix	2.146 (5)	Mn2—Mn2^i	2.69 (4)
Mn1—O4^iv	2.146 (5)	Mn2—Cs2^i	2.71 (4)
Mn1—O5	2.309 (7)	O6—Cs1^i	0.64 (3)
Mn1—O5^viii	2.309 (7)	O6—Cs2^i	1.19 (4)
Mn1—Mn2^viii	3.186 (17)	O6—Mn2^i	1.71 (3)
Mn1—Mn2	3.186 (17)	O6—Cs2^iii	2.23 (3)
Mn1—Cs2^x	4.33 (2)	O6—Cs2^ii	2.23 (3)
Mn1—Cs2^i	4.33 (2)	O6—Cs1^ii	2.90 (2)
Mn1—Cs1^x	4.373 (15)	O6—Cs1^iii	2.90 (2)
Mn1—Cs1^i	4.373 (15)	O6—Cs1^vi	3.470 (16)
P1—O4	1.502 (5)	O6—Cs1^iv	3.470 (16)
P1—O3	1.507 (5)
Cs1^i—Cs1—O6	63 (2)	O5^iv—Cs2—Mn2^iv	54.2 (5)
Cs1^i—Cs1—Cs2	164 (3)	O4^vi—Cs2—Mn2^iv	123.8 (6)
O6—Cs1—Cs2	129 (5)	O4^v—Cs2—Mn2^iv	40.0 (4)
Cs1^i—Cs1—Cs2^i	8.4 (18)	O2^vii—Cs2—Mn2^iv	108.9 (9)
O6—Cs1—Cs2^i	70 (2)	Cs1—Cs2—O4^iv	55 (2)
Cs2—Cs1—Cs2^i	160 (5)	Cs2^ii—Cs2—O4^iv	128 (2)
Cs1^i—Cs1—Cs2^ii	163.1 (18)	O6—Cs2—O4^iv	53.8 (8)
O6—Cs1—Cs2^ii	129 (3)	Cs1^i—Cs2—O4^iv	61.0 (12)
Cs2—Cs1—Cs2^ii	2 (2)	Cs1^ii—Cs2—O4^iv	127.7 (12)
Cs2^i—Cs1—Cs2^ii	160 (3)	Cs2^i—Cs2—O4^iv	62.1 (9)
Cs1^i—Cs1—Mn2	107.7 (13)	Mn2—Cs2—O4^iv	39.9 (6)
O6—Cs1—Mn2	54.1 (16)	O6^iv—Cs2—O4^iv	115.1 (11)
Cs2—Cs1—Mn2	88 (3)	Cs1^iv—Cs2—O4^iv	129.6 (9)
Cs2^i—Cs1—Mn2	110.5 (18)	Mn2^ii—Cs2—O4^iv	92.4 (8)
Cs2^ii—Cs1—Mn2	89.0 (14)	Mn2^i—Cs2—O4^iv	78.2 (7)
Cs1^i—Cs1—Mn2^i	58.2 (11)	Cs2^iv—Cs2—O4^iv	134.1 (9)
O6—Cs1—Mn2^i	28.0 (9)	Cs2^iii—Cs2—O4^iv	62.2 (6)
Cs2—Cs1—Mn2^i	126 (3)	O2^v—Cs2—O4^iv	95.4 (5)
Cs2^i—Cs1—Mn2^i	66.5 (16)	O5^i—Cs2—O4^iv	89.9 (7)
Cs2^ii—Cs1—Mn2^i	125.3 (10)	O2^vi—Cs2—O4^iv	155.2 (9)
Mn2—Cs1—Mn2^i	78.3 (11)	O5^iv—Cs2—O4^iv	49.5 (4)
Cs1^i—Cs1—Cs2^iii	12.8 (14)	O4^vi—Cs2—O4^iv	124.0 (10)
O6—Cs1—Cs2^iii	73.0 (19)	O4^v—Cs2—O4^iv	75.0 (4)
Cs2—Cs1—Cs2^iii	158 (4)	O2^vii—Cs2—O4^iv	105.0 (4)
Cs2^i—Cs1—Cs2^iii	4.4 (9)	Mn2^iv—Cs2—O4^iv	98.5 (6)
Cs2^ii—Cs1—Cs2^iii	157 (2)	Cs1—Cs2—Cs1^iii	19 (3)
Mn2—Cs1—Cs2^iii	111.0 (9)	Cs2^ii—Cs2—Cs1^iii	160.1 (11)
Mn2^i—Cs1—Cs2^iii	70.8 (9)	O6—Cs2—Cs1^iii	43.8 (15)
Cs1^i—Cs1—Cs1^ii	162.5 (14)	Cs1^i—Cs2—Cs1^iii	14.0 (12)
O6—Cs1—Cs1^ii	130 (2)	Cs1^ii—Cs2—Cs1^iii	159.1 (18)
Cs2—Cs1—Cs1^ii	2 (3)	Cs2^i—Cs2—Cs1^iii	7.2 (7)
Cs2^i—Cs1—Cs1^ii	158.9 (19)	Mn2—Cs2—Cs1^iii	89.6 (9)
Cs2^ii—Cs1—Cs1^ii	0.8 (11)	O6^iv—Cs2—Cs1^iii	163.5 (13)
Mn2—Cs1—Cs1^ii	89.7 (6)	Cs1^iv—Cs2—Cs1^iii	155.0 (15)
Mn2^i—Cs1—Cs1^ii	125.9 (9)	Mn2^ii—Cs2—Cs1^iii	150.9 (11)
Cs2^iii—Cs1—Cs1^ii	156.7 (9)	Mn2^i—Cs2—Cs1^iii	57.4 (7)
Cs1^i—Cs1—O6^iv	171.0 (9)	Cs2^iv—Cs2—Cs1^iii	151.5 (8)
O6—Cs1—O6^iv	125 (3)	Cs2^iii—Cs2—Cs1^iii	2.1 (6)
Cs2—Cs1—O6^iv	8 (2)	O2^v—Cs2—Cs1^iii	79.6 (6)
Cs2^i—Cs1—O6^iv	165 (2)	O5^i—Cs2—Cs1^iii	118.6 (11)
Cs2^ii—Cs1—O6^iv	9.4 (11)	O2^vi—Cs2—Cs1^iii	93.0 (7)
Mn2—Cs1—O6^iv	81.0 (10)	O5^iv—Cs2—Cs1^iii	111.9 (5)
Mn2^i—Cs1—O6^iv	127.5 (8)	O4^vi—Cs2—Cs1^iii	91.2 (8)
Cs2^iii—Cs1—O6^iv	160.9 (12)	O4^v—Cs2—Cs1^iii	104.0 (6)
Cs1^ii—Cs1—O6^iv	9.7 (7)	O2^vii—Cs2—Cs1^iii	54.3 (4)
Cs1^i—Cs1—Cs1^iii	14.2 (12)	Mn2^iv—Cs2—Cs1^iii	144.0 (9)
O6—Cs1—Cs1^iii	74 (2)	O4^iv—Cs2—Cs1^iii	62.7 (3)
Cs2—Cs1—Cs1^iii	157 (4)	Cs1—Cs2—O2^iv	59 (2)
Cs2^i—Cs1—Cs1^iii	5.8 (18)	Cs2^ii—Cs2—O2^iv	124 (3)
Cs2^ii—Cs1—Cs1^iii	156.2 (13)	O6—Cs2—O2^iv	74.6 (12)
Mn2—Cs1—Cs1^iii	111.8 (6)	Cs1^i—Cs2—O2^iv	59.9 (10)
Mn2^i—Cs1—Cs1^iii	72.3 (6)	Cs1^ii—Cs2—O2^iv	122.6 (10)
Cs2^iii—Cs1—Cs1^iii	1.5 (10)	Cs2^i—Cs2—O2^iv	55.8 (10)
Cs1^ii—Cs1—Cs1^iii	155.4 (4)	Mn2—Cs2—O2^iv	78.8 (7)
O6^iv—Cs1—Cs1^iii	159.4 (4)	O6^iv—Cs2—O2^iv	115.8 (9)
Cs1^i—Cs1—Cs1^iv	159.5 (13)	Cs1^iv—Cs2—O2^iv	121.1 (9)
O6—Cs1—Cs1^iv	133 (2)	Mn2^ii—Cs2—O2^iv	118.5 (8)
Cs2—Cs1—Cs1^iv	5 (3)	Mn2^i—Cs2—O2^iv	98.8 (7)
Cs2^i—Cs1—Cs1^iv	155.6 (19)	Cs2^iv—Cs2—O2^iv	122.8 (9)
Cs2^ii—Cs1—Cs1^iv	4.1 (12)	Cs2^iii—Cs2—O2^iv	52.2 (5)
Mn2—Cs1—Cs1^iv	92.8 (6)	O2^v—Cs2—O2^iv	57.5 (3)
Mn2^i—Cs1—Cs1^iv	127.8 (7)	O5^i—Cs2—O2^iv	129.0 (8)
Cs2^iii—Cs1—Cs1^iv	153.4 (9)	O2^vi—Cs2—O2^iv	129.3 (7)
Cs1^ii—Cs1—Cs1^iv	3.3 (3)	O5^iv—Cs2—O2^iv	70.9 (4)
O6^iv—Cs1—Cs1^iv	12.2 (7)	O4^vi—Cs2—O2^iv	141.9 (8)
Cs1^iii—Cs1—Cs1^iv	152.2 (2)	O4^v—Cs2—O2^iv	55.8 (3)
Cs1^i—Cs1—Mn2^ii	156.4 (5)	O2^vii—Cs2—O2^iv	69.6 (4)
O6—Cs1—Mn2^ii	93 (2)	Mn2^iv—Cs2—O2^iv	94.3 (6)
Cs2—Cs1—Mn2^ii	38 (3)	O4^iv—Cs2—O2^iv	39.2 (2)
Cs2^i—Cs1—Mn2^ii	162 (2)	Cs1^iii—Cs2—O2^iv	51.2 (3)
Cs2^ii—Cs1—Mn2^ii	38.7 (11)	Cs1—Cs2—P1^vi	91 (2)
Mn2—Cs1—Mn2^ii	51.4 (8)	Cs2^ii—Cs2—P1^vi	85.9 (19)
Mn2^i—Cs1—Mn2^ii	102.5 (7)	O6—Cs2—P1^vi	88.2 (12)
Cs2^iii—Cs1—Mn2^ii	162.4 (8)	Cs1^i—Cs2—P1^vi	87.1 (11)
Cs1^ii—Cs1—Mn2^ii	39.4 (4)	Cs1^ii—Cs2—P1^vi	86.4 (9)
O6^iv—Cs1—Mn2^ii	32.5 (6)	Cs2^i—Cs2—P1^vi	88.8 (14)
Cs1^iii—Cs1—Mn2^ii	163.1 (5)	Mn2—Cs2—P1^vi	120.3 (11)
Cs1^iv—Cs1—Mn2^ii	42.7 (4)	O6^iv—Cs2—P1^vi	97.3 (8)
Cs1^i—Cs1—O2^v	100.7 (6)	Cs1^iv—Cs2—P1^vi	85.7 (7)
O6—Cs1—O2^v	159.2 (19)	Mn2^ii—Cs2—P1^vi	101.5 (6)
Cs2—Cs1—O2^v	70 (3)	Mn2^i—Cs2—P1^vi	64.2 (6)
Cs2^i—Cs1—O2^v	93 (2)	Cs2^iv—Cs2—P1^vi	81.7 (3)
Cs2^ii—Cs1—O2^v	70.0 (9)	Cs2^iii—Cs2—P1^vi	91.0 (6)
Mn2—Cs1—O2^v	126.9 (7)	O2^v—Cs2—P1^vi	107.4 (7)
Mn2^i—Cs1—O2^v	153.1 (7)	O5^i—Cs2—P1^vi	78.2 (5)
Cs2^iii—Cs1—O2^v	89.2 (10)	O2^vi—Cs2—P1^vi	23.34 (19)
Cs1^ii—Cs1—O2^v	69.2 (3)	O5^iv—Cs2—P1^vi	147.7 (7)
O6^iv—Cs1—O2^v	71.7 (3)	O4^vi—Cs2—P1^vi	22.79 (17)
Cs1^iii—Cs1—O2^v	87.8 (3)	O4^v—Cs2—P1^vi	141.5 (9)
Cs1^iv—Cs1—O2^v	66.4 (2)	O2^vii—Cs2—P1^vi	76.5 (5)
Mn2^ii—Cs1—O2^v	101.5 (5)	Mn2^iv—Cs2—P1^vi	117.1 (6)
Cs1^i—Cs1—O4^vi	91.9 (19)	O4^iv—Cs2—P1^vi	142.0 (9)
O6—Cs1—O4^vi	72.2 (10)	Cs1^iii—Cs2—P1^vi	91.4 (7)
Cs2—Cs1—O4^vi	84 (2)	O2^iv—Cs2—P1^vi	139.8 (7)
Cs2^i—Cs1—O4^vi	99.1 (12)	O3^viii—Mn1—O3	164.4 (3)
Cs2^ii—Cs1—O4^vi	82.5 (7)	O3^viii—Mn1—O4^ix	99.32 (19)
Mn2—Cs1—O4^vi	99.5 (7)	O3—Mn1—O4^ix	91.14 (18)
Mn2^i—Cs1—O4^vi	48.8 (5)	O3^viii—Mn1—O4^iv	91.14 (18)
Cs2^iii—Cs1—O4^vi	103.2 (8)	O3—Mn1—O4^iv	99.31 (19)
Cs1^ii—Cs1—O4^vi	82.8 (6)	O4^ix—Mn1—O4^iv	96.1 (3)
O6^iv—Cs1—O4^vi	88.7 (4)	O3^viii—Mn1—O5	81.8 (2)
Cs1^iii—Cs1—O4^vi	104.2 (4)	O3—Mn1—O5	87.3 (2)
Cs1^iv—Cs1—O4^vi	83.4 (3)	O4^ix—Mn1—O5	177.0 (2)
Mn2^ii—Cs1—O4^vi	82.5 (5)	O4^iv—Mn1—O5	86.6 (2)
O2^v—Cs1—O4^vi	123.7 (4)	O3^viii—Mn1—O5^viii	87.3 (2)
Cs1^i—Cs1—O5^i	121.7 (7)	O3—Mn1—O5^viii	81.8 (2)
O6—Cs1—O5^i	61 (2)	O4^ix—Mn1—O5^viii	86.6 (2)
Cs2—Cs1—O5^i	68 (3)	O4^iv—Mn1—O5^viii	177.0 (2)
Cs2^i—Cs1—O5^i	130 (2)	O5—Mn1—O5^viii	90.6 (4)
Cs2^ii—Cs1—O5^i	68.2 (11)	O3^viii—Mn1—Mn2^viii	136.6 (3)
Mn2—Cs1—O5^i	46.2 (6)	O3—Mn1—Mn2^viii	46.7 (3)
Mn2^i—Cs1—O5^i	65.0 (6)	O4^ix—Mn1—Mn2^viii	48.9 (3)
Cs2^iii—Cs1—O5^i	133.2 (10)	O4^iv—Mn1—Mn2^viii	117.4 (4)
Cs1^ii—Cs1—O5^i	69.0 (4)	O5—Mn1—Mn2^viii	128.6 (3)
O6^iv—Cs1—O5^i	65.9 (4)	O5^viii—Mn1—Mn2^viii	65.4 (4)
Cs1^iii—Cs1—O5^i	134.7 (3)	O3^viii—Mn1—Mn2	46.7 (3)
Cs1^iv—Cs1—O5^i	72.0 (3)	O3—Mn1—Mn2	136.6 (3)
Mn2^ii—Cs1—O5^i	37.6 (4)	O4^ix—Mn1—Mn2	117.4 (4)
O2^v—Cs1—O5^i	137.5 (4)	O4^iv—Mn1—Mn2	48.9 (3)
O4^vi—Cs1—O5^i	56.9 (3)	O5—Mn1—Mn2	65.4 (4)
Cs1^i—Cs1—O2^vi	98.8 (19)	O5^viii—Mn1—Mn2	128.6 (3)
O6—Cs1—O2^vi	114.7 (10)	Mn2^viii—Mn1—Mn2	163.0 (7)
Cs2—Cs1—O2^vi	68 (2)	O3^viii—Mn1—Cs2^x	98.6 (4)
Cs2^i—Cs1—O2^vi	100.7 (12)	O3—Mn1—Cs2^x	80.6 (4)
Cs2^ii—Cs1—O2^vi	66.1 (10)	O4^ix—Mn1—Cs2^x	44.8 (4)
Mn2—Cs1—O2^vi	136.4 (8)	O4^iv—Mn1—Cs2^x	140.7 (4)
Mn2^i—Cs1—O2^vi	87.6 (5)	O5—Mn1—Cs2^x	132.4 (4)
Cs2^iii—Cs1—O2^vi	102.5 (5)	O5^viii—Mn1—Cs2^x	42.2 (4)
Cs1^ii—Cs1—O2^vi	65.8 (4)	Mn2^viii—Mn1—Cs2^x	38.6 (5)
O6^iv—Cs1—O2^vi	75.4 (6)	Mn2—Mn1—Cs2^x	142.7 (5)
Cs1^iii—Cs1—O2^vi	102.4 (4)	O3^viii—Mn1—Cs2^i	80.6 (4)
Cs1^iv—Cs1—O2^vi	64.0 (2)	O3—Mn1—Cs2^i	98.6 (4)
Mn2^ii—Cs1—O2^vi	93.3 (4)	O4^ix—Mn1—Cs2^i	140.7 (4)
O2^v—Cs1—O2^vi	79.1 (3)	O4^iv—Mn1—Cs2^i	44.8 (4)
O4^vi—Cs1—O2^vi	44.71 (18)	O5—Mn1—Cs2^i	42.2 (4)
O5^i—Cs1—O2^vi	90.5 (3)	O5^viii—Mn1—Cs2^i	132.4 (4)
Cs1^i—Cs1—O4^iv	77.9 (19)	Mn2^viii—Mn1—Cs2^i	142.7 (5)
O6—Cs1—O4^iv	65.8 (9)	Mn2—Mn1—Cs2^i	38.6 (5)
Cs2—Cs1—O4^iv	115 (2)	Cs2^x—Mn1—Cs2^i	174.6 (7)
Cs2^i—Cs1—O4^iv	75.7 (11)	O3^viii—Mn1—Cs1^x	107.49 (18)
Cs2^ii—Cs1—O4^iv	116.9 (11)	O3—Mn1—Cs1^x	72.43 (18)
Mn2—Cs1—O4^iv	47.3 (5)	O4^ix—Mn1—Cs1^x	43.6 (2)
Mn2^i—Cs1—O4^iv	92.4 (6)	O4^iv—Mn1—Cs1^x	136.9 (2)
Cs2^iii—Cs1—O4^iv	73.8 (6)	O5—Mn1—Cs1^x	133.4 (2)
Cs1^ii—Cs1—O4^iv	117.1 (5)	O5^viii—Mn1—Cs1^x	46.0 (2)
O6^iv—Cs1—O4^iv	107.6 (7)	Mn2^viii—Mn1—Cs1^x	29.6 (3)
Cs1^iii—Cs1—O4^iv	73.9 (2)	Mn2—Mn1—Cs1^x	150.5 (4)
Cs1^iv—Cs1—O4^iv	118.7 (3)	Cs2^x—Mn1—Cs1^x	8.9 (3)
Mn2^ii—Cs1—O4^iv	90.6 (4)	Cs2^i—Mn1—Cs1^x	170.9 (4)
O2^v—Cs1—O4^iv	99.3 (4)	O3^viii—Mn1—Cs1^i	72.42 (18)
O4^vi—Cs1—O4^iv	136.9 (5)	O3—Mn1—Cs1^i	107.49 (18)
O5^i—Cs1—O4^iv	93.1 (4)	O4^ix—Mn1—Cs1^i	136.9 (2)
O2^vi—Cs1—O4^iv	176.1 (5)	O4^iv—Mn1—Cs1^i	43.6 (2)
Cs1^i—Cs1—O5^iv	129 (2)	O5—Mn1—Cs1^i	46.1 (2)
O6—Cs1—O5^iv	90.3 (15)	O5^viii—Mn1—Cs1^i	133.4 (2)
Cs2—Cs1—O5^iv	65 (2)	Mn2^viii—Mn1—Cs1^i	150.5 (4)
Cs2^i—Cs1—O5^iv	126.7 (11)	Mn2—Mn1—Cs1^i	29.6 (3)
Cs2^ii—Cs1—O5^iv	66.5 (10)	Cs2^x—Mn1—Cs1^i	170.9 (4)
Mn2—Cs1—O5^iv	36.7 (6)	Cs2^i—Mn1—Cs1^i	8.9 (3)
Mn2^i—Cs1—O5^iv	115.0 (7)	Cs1^x—Mn1—Cs1^i	179.4 (3)
Cs2^iii—Cs1—O5^iv	124.3 (7)	O4—P1—O3	114.8 (3)
Cs1^ii—Cs1—O5^iv	66.9 (4)	O4—P1—O1	111.4 (3)
O6^iv—Cs1—O5^iv	57.1 (7)	O3—P1—O1	106.3 (3)
Cs1^iii—Cs1—O5^iv	124.1 (3)	O4—P1—O2	105.8 (3)
Cs1^iv—Cs1—O5^iv	69.0 (3)	O3—P1—O2	111.5 (3)
Mn2^ii—Cs1—O5^iv	42.7 (3)	O1—P1—O2	106.9 (2)
O2^v—Cs1—O5^iv	91.0 (3)	O4—P1—Cs2^vi	55.3 (5)
O4^vi—Cs1—O5^iv	121.8 (5)	O3—P1—Cs2^vi	127.8 (4)
O5^i—Cs1—O5^iv	66.0 (3)	O1—P1—Cs2^vi	125.4 (4)
O2^vi—Cs1—O5^iv	132.1 (4)	O2—P1—Cs2^vi	50.6 (5)
O4^iv—Cs1—O5^iv	51.3 (2)	O4—P1—Cs1^vi	52.5 (3)
Cs1^i—Cs1—O2^vii	69.5 (5)	O3—P1—Cs1^vi	118.6 (3)
O6—Cs1—O2^vii	131 (2)	O1—P1—Cs1^vi	135.0 (2)
Cs2—Cs1—O2^vii	96 (4)	O2—P1—Cs1^vi	55.2 (3)
Cs2^i—Cs1—O2^vii	64.4 (19)	Cs2^vi—P1—Cs1^vi	10.1 (4)
Cs2^ii—Cs1—O2^vii	95.3 (13)	O4—P1—Cs2^xi	62.1 (4)
Mn2—Cs1—O2^vii	162.8 (7)	O3—P1—Cs2^xi	142.0 (4)
Mn2^i—Cs1—O2^vii	111.9 (6)	O1—P1—Cs2^xi	109.6 (4)
Cs2^iii—Cs1—O2^vii	62.5 (7)	O2—P1—Cs2^xi	45.8 (4)
Cs1^ii—Cs1—O2^vii	94.6 (2)	Cs2^vi—P1—Cs2^xi	16.3 (7)
O6^iv—Cs1—O2^vii	101.5 (6)	Cs1^vi—P1—Cs2^xi	26.5 (4)
Cs1^iii—Cs1—O2^vii	61.4 (3)	O4—P1—Cs1^iii	53.0 (3)
Cs1^iv—Cs1—O2^vii	91.2 (2)	O3—P1—Cs1^iii	110.3 (2)
Mn2^ii—Cs1—O2^vii	133.9 (5)	O1—P1—Cs1^iii	143.4 (2)
O2^v—Cs1—O2^vii	41.3 (3)	O2—P1—Cs1^iii	58.1 (3)
O4^vi—Cs1—O2^vii	97.6 (3)	Cs2^vi—P1—Cs1^iii	18.4 (5)
O5^i—Cs1—O2^vii	150.1 (4)	Cs1^vi—P1—Cs1^iii	8.4 (3)
O2^vi—Cs1—O2^vii	59.7 (2)	Cs2^xi—P1—Cs1^iii	34.7 (3)
O4^iv—Cs1—O2^vii	116.7 (4)	O4—P1—Cs1^xi	67.3 (3)
O5^iv—Cs1—O2^vii	131.6 (4)	O3—P1—Cs1^xi	149.0 (2)
Cs1^i—Cs1—O2^iv	71.5 (19)	O1—P1—Cs1^xi	100.7 (2)
O6—Cs1—O2^iv	101.0 (13)	O2—P1—Cs1^xi	44.5 (2)
Cs2—Cs1—O2^iv	112 (3)	Cs2^vi—P1—Cs1^xi	25.6 (5)
Cs2^i—Cs1—O2^iv	64.2 (13)	Cs1^vi—P1—Cs1^xi	35.8 (3)
Cs2^ii—Cs1—O2^iv	112.8 (6)	Cs2^xi—P1—Cs1^xi	9.3 (2)
Mn2—Cs1—O2^iv	88.0 (6)	Cs1^iii—P1—Cs1^xi	43.99 (9)
Mn2^i—Cs1—O2^iv	119.5 (6)	O4—P1—Cs2^iii	56.4 (5)
Cs2^iii—Cs1—O2^iv	60.1 (8)	O3—P1—Cs2^iii	101.5 (4)
Cs1^ii—Cs1—O2^iv	112.4 (6)	O1—P1—Cs2^iii	152.1 (4)
O6^iv—Cs1—O2^iv	107.3 (5)	O2—P1—Cs2^iii	60.0 (4)
Cs1^iii—Cs1—O2^iv	59.05 (19)	Cs2^vi—P1—Cs2^iii	26.8 (7)
Cs1^iv—Cs1—O2^iv	111.4 (4)	Cs1^vi—P1—Cs2^iii	17.1 (5)
Mn2^ii—Cs1—O2^iv	113.6 (4)	Cs2^xi—P1—Cs2^iii	42.9 (3)
O2^v—Cs1—O2^iv	59.8 (3)	Cs1^iii—P1—Cs2^iii	8.8 (4)
O4^vi—Cs1—O2^iv	163.3 (4)	Cs1^xi—P1—Cs2^iii	52.1 (3)
O5^i—Cs1—O2^iv	133.7 (4)	O2^iii—B1—O2^xii	102.7 (6)
O2^vi—Cs1—O2^iv	133.9 (5)	O2^iii—B1—O1^xiii	113.8 (2)
O4^iv—Cs1—O2^iv	43.20 (18)	O2^xii—B1—O1^xiii	112.2 (2)
O5^iv—Cs1—O2^iv	72.5 (2)	O2^iii—B1—O1	112.2 (2)
O2^vii—Cs1—O2^iv	75.0 (4)	O2^xii—B1—O1	113.8 (2)
Cs1^i—Cs1—O6^iii	7.5 (7)	O1^xiii—B1—O1	102.6 (6)
O6—Cs1—O6^iii	70.3 (17)	O2^iii—B1—Cs2^xiv	61.6 (5)
Cs2—Cs1—O6^iii	159 (4)	O2^xii—B1—Cs2^xiv	42.6 (5)
Cs2^i—Cs1—O6^iii	2.9 (10)	O1^xiii—B1—Cs2^xiv	117.8 (4)
Cs2^ii—Cs1—O6^iii	158.2 (15)	O1—B1—Cs2^xiv	138.4 (4)
Mn2—Cs1—O6^iii	112.5 (6)	O2^iii—B1—Cs2^xv	42.6 (5)
Mn2^i—Cs1—O6^iii	65.4 (7)	O2^xii—B1—Cs2^xv	61.6 (5)
Cs2^iii—Cs1—O6^iii	6.6 (8)	O1^xiii—B1—Cs2^xv	138.4 (4)
Cs1^ii—Cs1—O6^iii	157.5 (3)	O1—B1—Cs2^xv	117.8 (4)
O6^iv—Cs1—O6^iii	164.2 (9)	Cs2^xiv—B1—Cs2^xv	28.1 (8)
Cs1^iii—Cs1—O6^iii	7.8 (6)	O2^iii—B1—Cs1^xiv	54.6 (4)
Cs1^iv—Cs1—O6^iii	154.2 (4)	O2^xii—B1—Cs1^xiv	48.2 (3)
Mn2^ii—Cs1—O6^iii	163.0 (6)	O1^xiii—B1—Cs1^xiv	125.9 (3)
O2^v—Cs1—O6^iii	93.2 (6)	O1—B1—Cs1^xiv	131.4 (4)
O4^vi—Cs1—O6^iii	96.6 (5)	Cs2^xiv—B1—Cs1^xiv	9.9 (3)
O5^i—Cs1—O6^iii	129.2 (5)	Cs2^xv—B1—Cs1^xiv	18.2 (5)
O2^vi—Cs1—O6^iii	97.9 (4)	O2^iii—B1—Cs1^xv	48.2 (3)
O4^iv—Cs1—O6^iii	78.5 (4)	O2^xii—B1—Cs1^xv	54.6 (4)
O5^iv—Cs1—O6^iii	129.5 (5)	O1^xiii—B1—Cs1^xv	131.4 (3)
O2^vii—Cs1—O6^iii	63.1 (4)	O1—B1—Cs1^xv	125.9 (3)
O2^iv—Cs1—O6^iii	66.7 (6)	Cs2^xiv—B1—Cs1^xv	18.2 (5)
Cs1^i—Cs1—Cs1^vi	17.2 (11)	Cs2^xv—B1—Cs1^xv	9.9 (3)
O6—Cs1—Cs1^vi	78 (2)	Cs1^xiv—B1—Cs1^xv	8.4 (3)
Cs2—Cs1—Cs1^vi	154 (4)	B1—O1—P1	131.3 (4)
Cs2^i—Cs1—Cs1^vi	8.9 (18)	B1^iv—O2—P1	128.3 (4)
Cs2^ii—Cs1—Cs1^vi	153.2 (13)	B1^iv—O2—Cs2^xi	118.0 (6)
Mn2—Cs1—Cs1^vi	113.7 (7)	P1—O2—Cs2^xi	112.3 (5)
Mn2^i—Cs1—Cs1^vi	75.4 (6)	B1^iv—O2—Cs2^vi	125.3 (6)
Cs2^iii—Cs1—Cs1^vi	4.7 (9)	P1—O2—Cs2^vi	106.1 (6)
Cs1^ii—Cs1—Cs1^vi	152.4 (2)	Cs2^xi—O2—Cs2^vi	20.8 (9)
O6^iv—Cs1—Cs1^vi	156.2 (4)	B1^iv—O2—Cs1^xi	111.6 (4)
Cs1^iii—Cs1—Cs1^vi	3.3 (2)	P1—O2—Cs1^xi	115.3 (3)
Cs1^iv—Cs1—Cs1^vi	149.1 (4)	Cs2^xi—O2—Cs1^xi	12.3 (3)
Mn2^ii—Cs1—Cs1^vi	164.6 (6)	Cs2^vi—O2—Cs1^xi	33.1 (7)
O2^v—Cs1—Cs1^vi	84.5 (2)	B1^iv—O2—Cs1^vi	127.3 (4)
O4^vi—Cs1—Cs1^vi	106.1 (4)	P1—O2—Cs1^vi	101.5 (3)
O5^i—Cs1—Cs1^vi	137.9 (2)	Cs2^xi—O2—Cs1^vi	32.7 (6)
O2^vi—Cs1—Cs1^vi	101.8 (5)	Cs2^vi—O2—Cs1^vi	11.9 (4)
O4^iv—Cs1—Cs1^vi	74.4 (3)	Cs1^xi—O2—Cs1^vi	45.0 (4)
O5^iv—Cs1—Cs1^vi	123.9 (5)	B1^iv—O2—Cs1^vii	104.3 (4)
O2^vii—Cs1—Cs1^vi	58.8 (2)	P1—O2—Cs1^vii	119.0 (3)
O2^iv—Cs1—Cs1^vi	57.2 (2)	Cs2^xi—O2—Cs1^vii	22.0 (6)
O6^iii—Cs1—Cs1^vi	10.3 (6)	Cs2^vi—O2—Cs1^vii	42.6 (5)
Cs1^i—Cs1—O5	50.4 (7)	Cs1^xi—O2—Cs1^vii	9.8 (4)
O6—Cs1—O5	19.2 (15)	Cs1^vi—O2—Cs1^vii	54.52 (12)
Cs2—Cs1—O5	144 (4)	B1^iv—O2—Cs1^iii	126.3 (3)
Cs2^i—Cs1—O5	55.6 (17)	P1—O2—Cs1^iii	98.7 (3)
Cs2^ii—Cs1—O5	144.6 (14)	Cs2^xi—O2—Cs1^iii	42.3 (4)
Mn2—Cs1—O5	58.8 (6)	Cs2^vi—O2—Cs1^iii	21.6 (6)
Mn2^i—Cs1—O5	40.0 (5)	Cs1^xi—O2—Cs1^iii	54.58 (15)
Cs2^iii—Cs1—O5	57.9 (7)	Cs1^vi—O2—Cs1^iii	9.7 (3)
Cs1^ii—Cs1—O5	145.4 (4)	Cs1^vii—O2—Cs1^iii	64.0 (3)
O6^iv—Cs1—O5	138.6 (7)	B1^iv—O2—Cs2^vii	96.6 (6)
Cs1^iii—Cs1—O5	59.1 (3)	P1—O2—Cs2^vii	120.9 (4)
Cs1^iv—Cs1—O5	148.7 (4)	Cs2^xi—O2—Cs2^vii	33.3 (9)
Mn2^ii—Cs1—O5	106.3 (6)	Cs2^vi—O2—Cs2^vii	53.9 (2)
O2^v—Cs1—O5	140.1 (4)	Cs1^xi—O2—Cs2^vii	21.1 (7)
O4^vi—Cs1—O5	88.2 (3)	Cs1^vi—O2—Cs2^vii	65.7 (4)
O5^i—Cs1—O5	78.1 (4)	Cs1^vii—O2—Cs2^vii	11.3 (4)
O2^vi—Cs1—O5	126.3 (3)	Cs1^iii—O2—Cs2^vii	75.2 (6)
O4^iv—Cs1—O5	53.0 (2)	B1^iv—O2—Cs2^iii	121.5 (5)
O5^iv—Cs1—O5	90.5 (3)	P1—O2—Cs2^iii	98.4 (5)
O2^vii—Cs1—O5	119.8 (4)	Cs2^xi—O2—Cs2^iii	51.6 (3)
O2^iv—Cs1—O5	82.8 (3)	Cs2^vi—O2—Cs2^iii	31.0 (9)
O6^iii—Cs1—O5	56.7 (2)	Cs1^xi—O2—Cs2^iii	63.7 (4)
Cs1^vi—Cs1—O5	62.1 (3)	Cs1^vi—O2—Cs2^iii	19.4 (6)
Cs1^i—Cs1—Cs2^iv	155.4 (13)	Cs1^vii—O2—Cs2^iii	72.9 (5)
O6—Cs1—Cs2^iv	135 (2)	Cs1^iii—O2—Cs2^iii	9.9 (5)
Cs2—Cs1—Cs2^iv	9 (3)	Cs2^vii—O2—Cs2^iii	83.9 (8)
Cs2^i—Cs1—Cs2^iv	152 (2)	P1—O3—Mn1	129.5 (3)
Cs2^ii—Cs1—Cs2^iv	7.7 (7)	P1—O3—Mn2^viii	137.0 (5)
Mn2—Cs1—Cs2^iv	96.7 (9)	Mn1—O3—Mn2^viii	91.7 (4)
Mn2^i—Cs1—Cs2^iv	127.0 (7)	P1—O4—Mn1^iii	139.6 (3)
Cs2^iii—Cs1—Cs2^iv	150.4 (12)	P1—O4—Mn2^iii	131.2 (5)
Cs1^ii—Cs1—Cs2^iv	7.1 (7)	Mn1^iii—O4—Mn2^iii	88.8 (4)
O6^iv—Cs1—Cs2^iv	16.5 (7)	P1—O4—Cs1^vi	105.5 (4)
Cs1^iii—Cs1—Cs2^iv	149.2 (8)	Mn1^iii—O4—Cs1^vi	108.6 (3)
Cs1^iv—Cs1—Cs2^iv	4.2 (7)	Mn2^iii—O4—Cs1^vi	44.8 (5)
Mn2^ii—Cs1—Cs2^iv	46.3 (6)	P1—O4—Cs2^vi	101.9 (6)
O2^v—Cs1—Cs2^iv	65.1 (5)	Mn1^iii—O4—Cs2^vi	106.9 (5)
O4^vi—Cs1—Cs2^iv	81.3 (4)	Mn2^iii—O4—Cs2^vi	55.8 (7)
O5^i—Cs1—Cs2^iv	74.0 (5)	Cs1^vi—O4—Cs2^vi	12.2 (4)
O2^vi—Cs1—Cs2^iv	60.0 (5)	P1—O4—Cs1^iii	105.4 (4)
O4^iv—Cs1—Cs2^iv	122.7 (6)	Mn1^iii—O4—Cs1^iii	112.0 (3)
O5^iv—Cs1—Cs2^iv	73.2 (6)	Mn2^iii—O4—Cs1^iii	37.8 (5)
O2^vii—Cs1—Cs2^iv	87.9 (7)	Cs1^vi—O4—Cs1^iii	10.2 (4)
O2^iv—Cs1—Cs2^iv	112.9 (4)	Cs2^vi—O4—Cs1^iii	22.2 (6)
O6^iii—Cs1—Cs2^iv	150.5 (9)	P1—O4—Cs2^xi	95.1 (5)
Cs1^vi—Cs1—Cs2^iv	146.3 (7)	Mn1^iii—O4—Cs2^xi	103.4 (5)
O5—Cs1—Cs2^iv	151.5 (8)	Mn2^iii—O4—Cs2^xi	73.2 (6)
Cs1—Cs2—Cs2^ii	177 (3)	Cs1^vi—O4—Cs2^xi	30.7 (5)
Cs1—Cs2—O6	25 (3)	Cs2^vi—O4—Cs2^xi	18.5 (8)
Cs2^ii—Cs2—O6	155 (3)	Cs1^iii—O4—Cs2^xi	40.6 (3)
Cs1—Cs2—Cs1^i	7.1 (16)	P1—O4—Cs2^iii	103.3 (5)
Cs2^ii—Cs2—Cs1^i	170.5 (17)	Mn1^iii—O4—Cs2^iii	116.1 (5)
O6—Cs2—Cs1^i	30.3 (18)	Mn2^iii—O4—Cs2^iii	33.9 (5)
Cs1—Cs2—Cs1^ii	177 (4)	Cs1^vi—O4—Cs2^iii	20.0 (5)
Cs2^ii—Cs2—Cs1^ii	1.1 (14)	Cs2^vi—O4—Cs2^iii	31.8 (8)
O6—Cs2—Cs1^ii	156 (2)	Cs1^iii—O4—Cs2^iii	9.8 (4)
Cs1^i—Cs2—Cs1^ii	170 (3)	Cs2^xi—O4—Cs2^iii	49.9 (4)
Cs1—Cs2—Cs2^i	13 (3)	P1—O4—Cs1^xi	91.1 (3)
Cs2^ii—Cs2—Cs2^i	165.9 (4)	Mn1^iii—O4—Cs1^xi	101.4 (3)
O6—Cs2—Cs2^i	37.0 (17)	Mn2^iii—O4—Cs1^xi	82.2 (5)
Cs1^i—Cs2—Cs2^i	6.9 (19)	Cs1^vi—O4—Cs1^xi	40.2 (3)
Cs1^ii—Cs2—Cs2^i	165.1 (15)	Cs2^vi—O4—Cs1^xi	27.9 (6)
Cs1—Cs2—Mn2	73 (3)	Cs1^iii—O4—Cs1^xi	50.00 (16)
Cs2^ii—Cs2—Mn2	108.8 (9)	Cs2^xi—O4—Cs1^xi	9.4 (2)
O6—Cs2—Mn2	54.9 (15)	Cs2^iii—O4—Cs1^xi	59.1 (3)
Cs1^i—Cs2—Mn2	80 (2)	Mn2^iii—O5—Mn1	141.7 (5)
Cs1^ii—Cs2—Mn2	109.4 (15)	Mn2^iii—O5—Mn2^i	67.8 (8)
Cs2^i—Cs2—Mn2	85.2 (9)	Mn1—O5—Mn2^i	129.2 (6)
Cs1—Cs2—O6^iv	170 (3)	Mn2^iii—O5—Cs2^i	58.9 (7)
Cs2^ii—Cs2—O6^iv	12.8 (16)	Mn1—O5—Cs2^i	107.1 (5)
O6—Cs2—O6^iv	150 (3)	Mn2^i—O5—Cs2^i	43.3 (6)
Cs1^i—Cs2—O6^iv	175.5 (15)	Mn2^iii—O5—Cs2^iii	43.1 (8)
Cs1^ii—Cs2—O6^iv	12.9 (10)	Mn1—O5—Cs2^iii	111.5 (6)
Cs2^i—Cs2—O6^iv	170.5 (12)	Mn2^i—O5—Cs2^iii	57.1 (5)
Mn2—Cs2—O6^iv	97.9 (13)	Cs2^i—O5—Cs2^iii	20.6 (10)
Cs1—Cs2—Cs1^iv	174 (4)	Mn2^iii—O5—Cs1^i	69.2 (5)
Cs2^ii—Cs2—Cs1^iv	5.1 (9)	Mn1—O5—Cs1^i	103.0 (3)
O6—Cs2—Cs1^iv	160 (2)	Mn2^i—O5—Cs1^i	38.1 (5)
Cs1^i—Cs2—Cs1^iv	166 (3)	Cs2^i—O5—Cs1^i	11.9 (6)
Cs1^ii—Cs2—Cs1^iv	4.1 (5)	Cs2^iii—O5—Cs1^i	32.6 (5)
Cs2^i—Cs2—Cs1^iv	161.0 (11)	Mn2^iii—O5—Cs1^iii	35.6 (5)
Mn2—Cs2—Cs1^iv	113.2 (12)	Mn1—O5—Cs1^iii	112.9 (4)
O6^iv—Cs2—Cs1^iv	15.9 (8)	Mn2^i—O5—Cs1^iii	65.9 (5)
Cs1—Cs2—Mn2^ii	133 (4)	Cs2^i—O5—Cs1^iii	32.2 (6)
Cs2^ii—Cs2—Mn2^ii	48.3 (7)	Cs2^iii—O5—Cs1^iii	11.6 (4)
O6—Cs2—Mn2^ii	110 (2)	Cs1^i—O5—Cs1^iii	44.2 (4)
Cs1^i—Cs2—Mn2^ii	140 (3)	Mn2^iii—O5—Cs1	76.9 (5)
Cs1^ii—Cs2—Mn2^ii	49.1 (9)	Mn1—O5—Cs1	98.3 (2)
Cs2^i—Cs2—Mn2^ii	145.8 (9)	Mn2^i—O5—Cs1	38.1 (5)
Mn2—Cs2—Mn2^ii	61.3 (11)	Cs2^i—O5—Cs1	19.7 (7)
O6^iv—Cs2—Mn2^ii	39.9 (8)	Cs2^iii—O5—Cs1	40.2 (3)
Cs1^iv—Cs2—Mn2^ii	53.2 (7)	Cs1^i—O5—Cs1	7.9 (3)
Cs1—Cs2—Mn2^i	42 (3)	Cs1^iii—O5—Cs1	51.8 (3)
Cs2^ii—Cs2—Mn2^i	136 (2)	Mn2^iii—O5—Cs1^vi	33.1 (5)
O6—Cs2—Mn2^i	25.5 (9)	Mn1—O5—Cs1^vi	112.3 (3)
Cs1^i—Cs2—Mn2^i	43.9 (15)	Mn2^i—O5—Cs1^vi	72.0 (5)
Cs1^ii—Cs2—Mn2^i	137.5 (10)	Cs2^i—O5—Cs1^vi	39.2 (4)
Cs2^i—Cs2—Mn2^i	50.4 (9)	Cs2^iii—O5—Cs1^vi	18.6 (7)
Mn2—Cs2—Mn2^i	66.9 (12)	Cs1^i—O5—Cs1^vi	51.1 (3)
O6^iv—Cs2—Mn2^i	139.1 (10)	Cs1^iii—O5—Cs1^vi	7.0 (4)
Cs1^iv—Cs2—Mn2^i	139.7 (8)	Cs1—O5—Cs1^vi	58.7 (5)
Mn2^ii—Cs2—Mn2^i	105.1 (10)	Mn2^iii—O5—H1	106 (7)
Cs1—Cs2—Cs2^iv	169 (3)	Mn1—O5—H1	112 (7)
Cs2^ii—Cs2—Cs2^iv	9.0 (4)	Mn2^i—O5—H1	57 (7)
O6—Cs2—Cs2^iv	161.2 (17)	Cs2^i—O5—H1	99 (7)
Cs1^i—Cs2—Cs2^iv	161.8 (17)	Cs2^iii—O5—H1	114 (7)
Cs1^ii—Cs2—Cs2^iv	8.4 (14)	Cs1^i—O5—H1	91 (7)
Cs2^i—Cs2—Cs2^iv	156.9 (10)	Cs1^iii—O5—H1	121 (7)
Mn2—Cs2—Cs2^iv	117.7 (12)	Cs1—O5—H1	86 (7)
O6^iv—Cs2—Cs2^iv	20.8 (11)	Cs1^vi—O5—H1	126 (7)
Cs1^iv—Cs2—Cs2^iv	4.9 (10)	Mn2^iii—O5—H2	60 (6)
Mn2^ii—Cs2—Cs2^iv	57.2 (10)	Mn1—O5—H2	112 (6)
Mn2^i—Cs2—Cs2^iv	138.3 (7)	Mn2^i—O5—H2	118 (6)
Cs1—Cs2—Cs2^iii	17 (3)	Cs2^i—O5—H2	117 (7)
Cs2^ii—Cs2—Cs2^iii	162.0 (11)	Cs2^iii—O5—H2	98 (6)
O6—Cs2—Cs2^iii	41.7 (17)	Cs1^i—O5—H2	128 (6)
Cs1^i—Cs2—Cs2^iii	12.0 (17)	Cs1^iii—O5—H2	87 (6)
Cs1^ii—Cs2—Cs2^iii	161.1 (16)	Cs1—O5—H2	136 (6)
Cs2^i—Cs2—Cs2^iii	5.2 (3)	Cs1^vi—O5—H2	80 (6)
Mn2—Cs2—Cs2^iii	88.2 (11)	H1—O5—H2	109 (8)
O6^iv—Cs2—Cs2^iii	165.4 (9)	O6—Mn2—Cs1	17.6 (8)
Cs1^iv—Cs2—Cs2^iii	156.9 (13)	O6—Mn2—O5^iv	124.8 (13)
Mn2^ii—Cs2—Cs2^iii	149.3 (12)	Cs1—Mn2—O5^iv	107.6 (9)
Mn2^i—Cs2—Cs2^iii	55.5 (8)	O6—Mn2—Cs2	34.6 (11)
Cs2^iv—Cs2—Cs2^iii	153.3 (4)	Cs1—Mn2—Cs2	18.9 (6)
Cs1—Cs2—O2^v	98 (3)	O5^iv—Mn2—Cs2	94.7 (11)
Cs2^ii—Cs2—O2^v	82.3 (18)	O6—Mn2—Cs1^i	10.1 (8)
O6—Cs2—O2^v	122.1 (17)	Cs1—Mn2—Cs1^i	14.2 (6)
Cs1^i—Cs2—O2^v	93.7 (18)	O5^iv—Mn2—Cs1^i	116.9 (9)
Cs1^ii—Cs2—O2^v	81.3 (12)	Cs2—Mn2—Cs1^i	33.1 (10)
Cs2^i—Cs2—O2^v	86.8 (5)	O6—Mn2—O3^viii	132.4 (14)
Mn2—Cs2—O2^v	131.3 (9)	Cs1—Mn2—O3^viii	149.8 (11)
O6^iv—Cs2—O2^v	84.4 (10)	O5^iv—Mn2—O3^viii	100.6 (7)
Cs1^iv—Cs2—O2^v	77.6 (11)	Cs2—Mn2—O3^viii	164.4 (12)
Mn2^ii—Cs2—O2^v	119.9 (11)	Cs1^i—Mn2—O3^viii	136.6 (10)
Mn2^i—Cs2—O2^v	134.8 (9)	O6—Mn2—O5^i	93.0 (9)
Cs2^iv—Cs2—O2^v	76.2 (6)	Cs1—Mn2—O5^i	95.7 (8)
Cs2^iii—Cs2—O2^v	81.7 (3)	O5^iv—Mn2—O5^i	107.1 (8)
Cs1—Cs2—O5^i	100 (4)	Cs2—Mn2—O5^i	86.5 (7)
Cs2^ii—Cs2—O5^i	80.2 (11)	Cs1^i—Mn2—O5^i	102.0 (7)
O6—Cs2—O5^i	75.3 (18)	O3^viii—Mn2—O5^i	86.0 (6)
Cs1^i—Cs2—O5^i	105 (2)	O6—Mn2—O4^iv	94.3 (8)
Cs1^ii—Cs2—O5^i	81.2 (9)	Cs1—Mn2—O4^iv	94.9 (7)
Cs2^i—Cs2—O5^i	111.5 (7)	O5^iv—Mn2—O4^iv	78.3 (6)
Mn2—Cs2—O5^i	50.2 (7)	Cs2—Mn2—O4^iv	106.2 (8)
O6^iv—Cs2—O5^i	77.0 (7)	Cs1^i—Mn2—O4^iv	86.4 (6)
Cs1^iv—Cs2—O5^i	85.1 (6)	O3^viii—Mn2—O4^iv	80.3 (5)
Mn2^ii—Cs2—O5^i	41.7 (5)	O5^i—Mn2—O4^iv	166.0 (8)
Mn2^i—Cs2—O5^i	63.9 (7)	O6—Mn2—Mn2^ii	100.9 (7)
Cs2^iv—Cs2—O5^i	87.2 (7)	Cs1—Mn2—Mn2^ii	89.2 (6)
Cs2^iii—Cs2—O5^i	116.6 (10)	O5^iv—Mn2—Mn2^ii	61.6 (8)
O2^v—Cs2—O5^i	161.2 (10)	Cs2—Mn2—Mn2^ii	70.6 (8)
Cs1—Cs2—O2^vi	100 (2)	Cs1^i—Mn2—Mn2^ii	103.0 (6)
Cs2^ii—Cs2—O2^vi	76.9 (13)	O3^viii—Mn2—Mn2^ii	114.1 (5)
O6—Cs2—O2^vi	105.4 (14)	O5^i—Mn2—Mn2^ii	50.6 (6)
Cs1^i—Cs2—O2^vi	94.2 (13)	O4^iv—Mn2—Mn2^ii	138.9 (12)
Cs1^ii—Cs2—O2^vi	77.0 (12)	O6—Mn2—Cs2^ii	56.6 (10)
Cs2^i—Cs2—O2^vi	93.2 (14)	Cs1—Mn2—Cs2^ii	41.9 (8)
Mn2—Cs2—O2^vi	143.5 (12)	O5^iv—Mn2—Cs2^ii	79.4 (9)
O6^iv—Cs2—O2^vi	89.6 (10)	Cs2—Mn2—Cs2^ii	22.9 (12)
Cs1^iv—Cs2—O2^vi	74.8 (9)	Cs1^i—Mn2—Cs2^ii	56.0 (5)
Mn2^ii—Cs2—O2^vi	109.1 (7)	O3^viii—Mn2—Cs2^ii	159.9 (9)
Mn2^i—Cs2—O2^vi	84.2 (7)	O5^i—Mn2—Cs2^ii	75.0 (6)
Cs2^iv—Cs2—O2^vi	70.1 (3)	O4^iv—Mn2—Cs2^ii	118.9 (8)
Cs2^iii—Cs2—O2^vi	93.4 (6)	Mn2^ii—Mn2—Cs2^ii	48.1 (7)
O2^v—Cs2—O2^vi	84.8 (8)	O6—Mn2—Mn2^i	38.1 (11)
O5^i—Cs2—O2^vi	97.9 (5)	Cs1—Mn2—Mn2^i	54.9 (6)
Cs1—Cs2—O5^iv	104 (3)	O5^iv—Mn2—Mn2^i	162.2 (6)
Cs2^ii—Cs2—O5^iv	79.2 (16)	Cs2—Mn2—Mn2^i	67.5 (9)
O6—Cs2—O5^iv	93.6 (14)	Cs1^i—Mn2—Mn2^i	46.8 (6)
Cs1^i—Cs2—O5^iv	110.0 (16)	O3^viii—Mn2—Mn2^i	97.2 (6)
Cs1^ii—Cs2—O5^iv	79.3 (10)	O5^i—Mn2—Mn2^i	74.4 (7)
Cs2^i—Cs2—O5^iv	111.6 (12)	O4^iv—Mn2—Mn2^i	104.6 (10)
Mn2—Cs2—O5^iv	42.2 (7)	Mn2^ii—Mn2—Mn2^i	111.0 (11)
O6^iv—Cs2—O5^iv	66.4 (10)	Cs2^ii—Mn2—Mn2^i	84.0 (9)
Cs1^iv—Cs2—O5^iv	81.9 (8)	O6—Mn2—Cs2^i	17.4 (5)
Mn2^ii—Cs2—O5^iv	47.9 (5)	Cs1—Mn2—Cs2^i	25.5 (6)
Mn2^i—Cs2—O5^iv	109.1 (10)	O5^iv—Mn2—Cs2^i	120.4 (9)
Cs2^iv—Cs2—O5^iv	86.7 (10)	Cs2—Mn2—Cs2^i	44.4 (10)
Cs2^iii—Cs2—O5^iv	111.5 (8)	Cs1^i—Mn2—Cs2^i	11.7 (4)
O2^v—Cs2—O5^iv	98.8 (7)	O3^viii—Mn2—Cs2^i	126.9 (9)
O5^i—Cs2—O5^iv	71.1 (6)	O5^i—Mn2—Cs2^i	109.8 (8)
O2^vi—Cs2—O5^iv	155.1 (8)	O4^iv—Mn2—Cs2^i	76.9 (6)
Cs1—Cs2—O4^vi	84 (3)	Mn2^ii—Mn2—Cs2^i	114.6 (5)
Cs2^ii—Cs2—O4^vi	94 (2)	Cs2^ii—Mn2—Cs2^i	67.3 (9)
O6—Cs2—O4^vi	72.7 (12)	Mn2^i—Mn2—Cs2^i	45.6 (7)
Cs1^i—Cs2—O4^vi	82.1 (13)	Cs1—O6—Cs1^i	54 (4)
Cs1^ii—Cs2—O4^vi	94.6 (8)	Cs1—O6—Cs2^i	80 (3)
Cs2^i—Cs2—O4^vi	86.2 (13)	Cs1^i—O6—Cs2^i	26.5 (19)
Mn2—Cs2—O4^vi	97.5 (11)	Cs1—O6—Cs2	26.5 (19)
O6^iv—Cs2—O4^vi	102.3 (6)	Cs1^i—O6—Cs2	80 (3)
Cs1^iv—Cs2—O4^vi	95.4 (5)	Cs2^i—O6—Cs2	106 (3)
Mn2^ii—Cs2—O4^vi	91.0 (7)	Cs1—O6—Mn2^i	141.9 (16)
Mn2^i—Cs2—O4^vi	47.2 (5)	Cs1^i—O6—Mn2^i	108.3 (12)
Cs2^iv—Cs2—O4^vi	92.7 (4)	Cs2^i—O6—Mn2^i	90.5 (14)
Cs2^iii—Cs2—O4^vi	90.0 (7)	Cs2—O6—Mn2^i	137.1 (11)
O2^v—Cs2—O4^vi	129.7 (9)	Cs1—O6—Mn2	108.3 (12)
O5^i—Cs2—O4^vi	58.8 (4)	Cs1^i—O6—Mn2	141.9 (16)
O2^vi—Cs2—O4^vi	46.1 (3)	Cs2^i—O6—Mn2	137.2 (11)
O5^iv—Cs2—O4^vi	129.8 (9)	Cs2—O6—Mn2	90.5 (14)
Cs1—Cs2—O4^v	114 (2)	Mn2^i—O6—Mn2	104 (2)
Cs2^ii—Cs2—O4^v	68 (2)	Cs1—O6—Cs2^iii	91 (3)
O6—Cs2—O4^v	127.1 (12)	Cs1^i—O6—Cs2^iii	38.2 (19)
Cs1^i—Cs2—O4^v	115.1 (13)	Cs2^i—O6—Cs2^iii	11.8 (11)
Cs1^ii—Cs2—O4^v	66.8 (7)	Cs2—O6—Cs2^iii	117 (3)
Cs2^i—Cs2—O4^v	110.0 (10)	Mn2^i—O6—Cs2^iii	83.6 (10)
Mn2—Cs2—O4^v	95.2 (9)	Mn2—O6—Cs2^iii	130.0 (8)
O6^iv—Cs2—O4^v	60.8 (7)	Cs1—O6—Cs2^ii	38.2 (19)
Cs1^iv—Cs2—O4^v	65.6 (7)	Cs1^i—O6—Cs2^ii	91 (3)
Mn2^ii—Cs2—O4^v	81.9 (8)	Cs2^i—O6—Cs2^ii	117 (3)
Mn2^i—Cs2—O4^v	152.5 (8)	Cs2—O6—Cs2^ii	11.8 (11)
Cs2^iv—Cs2—O4^v	67.9 (8)	Mn2^i—O6—Cs2^ii	130.0 (8)
Cs2^iii—Cs2—O4^v	105.5 (4)	Mn2—O6—Cs2^ii	83.6 (10)
O2^v—Cs2—O4^v	44.0 (4)	Cs2^iii—O6—Cs2^ii	129 (2)
O5^i—Cs2—O4^v	121.3 (8)	Cs1—O6—Cs1^ii	40.5 (15)
O2^vi—Cs2—O4^v	119.2 (10)	Cs1^i—O6—Cs1^ii	93 (3)
O5^iv—Cs2—O4^v	55.9 (4)	Cs2^i—O6—Cs1^ii	120 (2)
O4^vi—Cs2—O4^v	160.2 (9)	Cs2—O6—Cs1^ii	14.1 (14)
Cs1—Cs2—O2^vii	73 (3)	Mn2^i—O6—Cs1^ii	128.6 (7)
Cs2^ii—Cs2—O2^vii	106.0 (7)	Mn2—O6—Cs1^ii	82.1 (7)
O6—Cs2—O2^vii	95.7 (17)	Cs2^iii—O6—Cs1^ii	131.3 (15)
Cs1^i—Cs2—O2^vii	66.0 (17)	Cs2^ii—O6—Cs1^ii	2.3 (7)
Cs1^ii—Cs2—O2^vii	105.2 (16)	Cs1—O6—Cs1^iii	93 (3)
Cs2^i—Cs2—O2^vii	59.9 (6)	Cs1^i—O6—Cs1^iii	40.5 (15)
Mn2—Cs2—O2^vii	142.1 (9)	Cs2^i—O6—Cs1^iii	14.1 (14)
O6^iv—Cs2—O2^vii	114.3 (12)	Cs2—O6—Cs1^iii	120 (2)
Cs1^iv—Cs2—O2^vii	101.1 (13)	Mn2^i—O6—Cs1^iii	82.1 (7)
Mn2^ii—Cs2—O2^vii	154.1 (12)	Mn2—O6—Cs1^iii	128.6 (7)
Mn2^i—Cs2—O2^vii	97.3 (8)	Cs2^iii—O6—Cs1^iii	2.3 (7)
Cs2^iv—Cs2—O2^vii	97.3 (5)	Cs2^ii—O6—Cs1^iii	131.3 (15)
Cs2^iii—Cs2—O2^vii	56.0 (3)	Cs1^ii—O6—Cs1^iii	133.6 (13)
O2^v—Cs2—O2^vii	40.7 (4)	Cs1—O6—Cs1^vi	92 (3)
O5^i—Cs2—O2^vii	153.5 (8)	Cs1^i—O6—Cs1^vi	39.4 (15)
O2^vi—Cs2—O2^vii	59.9 (5)	Cs2^i—O6—Cs1^vi	13.1 (13)
O5^iv—Cs2—O2^vii	135.1 (7)	Cs2—O6—Cs1^vi	119 (2)
O4^vi—Cs2—O2^vii	94.8 (6)	Mn2^i—O6—Cs1^vi	83.6 (7)
O4^v—Cs2—O2^vii	84.2 (6)	Mn2—O6—Cs1^vi	128.5 (6)
Cs1—Cs2—Mn2^iv	151 (2)	Cs2^iii—O6—Cs1^vi	1.6 (5)
Cs2^ii—Cs2—Mn2^iv	31 (2)	Cs2^ii—O6—Cs1^vi	130.1 (14)
O6—Cs2—Mn2^iv	147.7 (17)	Cs1^ii—O6—Cs1^vi	132.4 (12)
Cs1^i—Cs2—Mn2^iv	154.1 (14)	Cs1^iii—O6—Cs1^vi	1.49 (16)
Cs1^ii—Cs2—Mn2^iv	30.8 (6)	Cs1—O6—Cs1^iv	39.4 (15)
Cs2^i—Cs2—Mn2^iv	149.8 (13)	Cs1^i—O6—Cs1^iv	92 (3)
Mn2—Cs2—Mn2^iv	93.6 (9)	Cs2^i—O6—Cs1^iv	119 (2)
O6^iv—Cs2—Mn2^iv	21.5 (6)	Cs2—O6—Cs1^iv	13.1 (13)
Cs1^iv—Cs2—Mn2^iv	31.5 (5)	Mn2^i—O6—Cs1^iv	128.5 (6)
Mn2^ii—Cs2—Mn2^iv	48.5 (8)	Mn2—O6—Cs1^iv	83.6 (7)
Mn2^i—Cs2—Mn2^iv	153.5 (11)	Cs2^iii—O6—Cs1^iv	130.1 (14)
Cs2^iv—Cs2—Mn2^iv	35.8 (8)	Cs2^ii—O6—Cs1^iv	1.6 (5)
Cs2^iii—Cs2—Mn2^iv	145.5 (6)	Cs1^ii—O6—Cs1^iv	1.49 (16)
O2^v—Cs2—Mn2^iv	71.4 (7)	Cs1^iii—O6—Cs1^iv	132.4 (12)
O5^i—Cs2—Mn2^iv	90.0 (6)	Cs1^vi—O6—Cs1^iv	131.2 (11)
O2^vi—Cs2—Mn2^iv	105.0 (8)

Symmetry codes: (i) x, x−y, −z+1/6; (ii) x−y, −y, −z; (iii) x−y, x, z+1/6; (iv) y, −x+y, z−1/6; (v) −x+y, −x, z−1/3; (vi) y, x, −z+1/3; (vii) −x+y, y, −z+1/2; (viii) −x+y+1, y, −z+1/2; (ix) −x+1, −x+y, −z+2/3; (x) −y+1, x−y, z+1/3; (xi) −y, x−y, z+1/3; (xii) x−y, −y, −z+1; (xiii) x, x−y, −z+7/6; (xiv) −x, −x+y, −z+2/3; (xv) −x, −y, z+1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O5—H1···O1^xvi	0.85 (1)	2.25 (8)	2.835 (8)	126 (8)
O5—H2···O4	0.85 (1)	2.20 (7)	2.828 (8)	131 (8)

Symmetry code: (xvi) −x+y+1, −x+1, z−1/3.

Caesium manganese (III) Borodiphosphate Hydroxide (III)

Crystal data

Cs·Mn·BO8P2·OH	F(000) = 752
Mr = 405.61	Dx = 3.567 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 9.1494 (3) Å	Cell parameters from 5939 reflections
b = 8.6991 (2) Å	θ = 3.2–31.7°
c = 9.6413 (3) Å	µ = 6.95 mm^−1
β = 100.141 (2)°	T = 293 K
V = 755.38 (4) Å^3	Ambiguous, purple
Z = 4	0.09 × 0.08 × 0.07 mm

Data collection

Xcalibur, Sapphire3 diffractometer	2203 independent reflections
Radiation source: Enhance (Mo) X-ray Source	1998 reflections with I > 2σ(I)
Detector resolution: 16.0630 pixels mm^-1	Rint = 0.051
ω scans	θmax = 30.0°, θmin = 3.2°
Absorption correction: gaussian CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	h = −12→12
Tmin = 0.631, Tmax = 0.682	k = −12→12
14159 measured reflections	l = −13→13

Refinement

Refinement on F^2	1 restraint
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F^2 > 2σ(F^2)] = 0.029	Secondary atom site location: difference Fourier map
wR(F^2) = 0.055	w = 1/[σ^2(Fo^2) + (0.0129P)^2 + 1.6434P] where P = (Fo^2 + 2Fc^2)/3
S = 1.16	(Δ/σ)max < 0.001
2203 reflections	Δρmax = 1.02 e Å^−3
131 parameters	Δρmin = −1.15 e Å^−3

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
Cs1	0.20305 (3)	0.39124 (3)	0.04851 (2)	0.01891 (7)
Mn	0.20759 (5)	0.65194 (6)	0.42822 (5)	0.00612 (10)
P1	0.07196 (9)	−0.06458 (10)	0.19875 (9)	0.00546 (16)
P2	0.58210 (9)	0.24207 (10)	0.29421 (9)	0.00557 (16)
B	0.3457 (4)	0.0524 (4)	0.1928 (4)	0.0075 (7)
O1	0.6372 (3)	0.2323 (3)	0.4523 (2)	0.0104 (5)
O2	0.1904 (3)	0.0666 (3)	0.2128 (2)	0.0098 (5)
O3	−0.0803 (3)	0.0094 (3)	0.1824 (2)	0.0104 (5)
O4	0.4176 (2)	0.1888 (3)	0.2677 (3)	0.0095 (5)
O5	0.0880 (3)	−0.1623 (3)	0.0698 (3)	0.0114 (5)
O6	0.0947 (3)	−0.1564 (3)	0.3333 (2)	0.0101 (5)
O7	0.4183 (3)	−0.0893 (3)	0.2587 (2)	0.0090 (5)
O8	0.6669 (3)	0.1376 (3)	0.2109 (2)	0.0109 (5)
O9	0.3461 (3)	0.0551 (3)	0.0425 (3)	0.0124 (5)
H	0.431 (3)	0.075 (6)	0.015 (6)	0.051 (18)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cs1	0.02185 (13)	0.01692 (13)	0.01733 (12)	0.00185 (9)	0.00173 (9)	0.00437 (9)
Mn	0.0047 (2)	0.0078 (2)	0.0059 (2)	−0.00123 (17)	0.00112 (17)	−0.00025 (17)
P1	0.0039 (4)	0.0067 (4)	0.0056 (4)	0.0007 (3)	0.0005 (3)	0.0001 (3)
P2	0.0044 (4)	0.0055 (4)	0.0067 (4)	−0.0005 (3)	0.0007 (3)	−0.0004 (3)
B	0.0051 (16)	0.0052 (16)	0.0115 (17)	−0.0023 (13)	−0.0003 (13)	−0.0002 (13)
O1	0.0123 (12)	0.0118 (12)	0.0062 (11)	−0.0034 (9)	−0.0008 (9)	0.0000 (9)
O2	0.0060 (11)	0.0095 (12)	0.0137 (12)	−0.0010 (9)	0.0017 (9)	−0.0006 (9)
O3	0.0056 (11)	0.0139 (12)	0.0120 (12)	0.0040 (9)	0.0021 (9)	0.0039 (10)
O4	0.0039 (11)	0.0090 (12)	0.0154 (12)	−0.0009 (9)	0.0007 (9)	−0.0047 (9)
O5	0.0134 (12)	0.0118 (12)	0.0109 (12)	−0.0033 (10)	0.0072 (9)	−0.0049 (9)
O6	0.0117 (12)	0.0111 (12)	0.0076 (11)	0.0028 (9)	0.0024 (9)	0.0035 (9)
O7	0.0081 (11)	0.0069 (11)	0.0108 (11)	0.0023 (9)	−0.0012 (9)	−0.0007 (9)
O8	0.0129 (12)	0.0094 (12)	0.0122 (12)	0.0009 (9)	0.0071 (9)	0.0017 (9)
O9	0.0125 (13)	0.0160 (13)	0.0082 (11)	−0.0022 (10)	0.0007 (10)	0.0012 (9)

Geometric parameters (Å, º)

Cs1—O6^i	3.144 (2)	P2—O8	1.514 (2)
Cs1—O4	3.156 (2)	P2—O1	1.521 (2)
Cs1—O6^ii	3.160 (2)	P2—O4	1.552 (2)
Cs1—O3^ii	3.174 (2)	P2—O7^iii	1.553 (2)
Cs1—O9	3.208 (3)	P2—Cs1^x	3.7984 (9)
Cs1—O8^iii	3.228 (2)	B—O9	1.451 (4)
Cs1—O2^i	3.239 (2)	B—O2	1.472 (4)
Cs1—O2	3.250 (2)	B—O4	1.482 (4)
Cs1—O1^iii	3.308 (2)	B—O7	1.488 (4)
Cs1—O5^iv	3.360 (2)	B—Cs1^v	3.909 (4)
Cs1—B	3.419 (4)	O1—Mn^vi	1.945 (2)
Cs1—O7^iii	3.636 (2)	O1—Cs1^x	3.308 (2)
Mn—O5^v	1.896 (2)	O2—Cs1^v	3.239 (2)
Mn—O3^ii	1.896 (2)	O3—Mn^ix	1.896 (2)
Mn—O8^iii	1.917 (2)	O3—Cs1^ix	3.174 (2)
Mn—O1^vi	1.945 (2)	O4—Cs1^v	3.680 (2)
Mn—O6^vii	2.086 (2)	O5—Mn^i	1.896 (2)
Mn—O9^v	2.361 (3)	O5—Cs1^iv	3.360 (2)
Mn—Cs1^viii	4.1419 (6)	O6—Mn^xi	2.086 (2)
Mn—Cs1^ii	4.3356 (6)	O6—Cs1^v	3.144 (2)
P1—O6	1.507 (2)	O6—Cs1^ix	3.160 (2)
P1—O3	1.517 (2)	O7—P2^x	1.553 (2)
P1—O5	1.534 (2)	O7—Cs1^x	3.636 (2)
P1—O2	1.564 (2)	O8—Mn^x	1.917 (2)
P1—Cs1^v	3.6959 (9)	O8—Cs1^x	3.228 (2)
P1—Cs1^ix	3.8179 (8)	O9—Mn^i	2.361 (3)
P1—Cs1^iv	4.2399 (9)	O9—H	0.882 (10)
O6^i—Cs1—O4	159.72 (6)	O8^iii—Mn—Cs1^ii	134.32 (8)
O6^i—Cs1—O6^ii	98.19 (6)	O1^vi—Mn—Cs1^ii	105.66 (7)
O4—Cs1—O6^ii	99.18 (6)	O6^vii—Mn—Cs1^ii	43.30 (6)
O6^i—Cs1—O3^ii	100.72 (6)	O9^v—Mn—Cs1^ii	137.83 (6)
O4—Cs1—O3^ii	84.33 (6)	Cs1^viii—Mn—Cs1^ii	58.220 (9)
O6^ii—Cs1—O3^ii	45.26 (6)	Cs1—Mn—Cs1^ii	114.752 (11)
O6^i—Cs1—O9	137.64 (6)	O6—P1—O3	107.41 (13)
O4—Cs1—O9	45.25 (6)	O6—P1—O5	112.67 (14)
O6^ii—Cs1—O9	105.51 (6)	O3—P1—O5	111.60 (14)
O3^ii—Cs1—O9	120.94 (6)	O6—P1—O2	108.91 (14)
O6^i—Cs1—O8^iii	91.18 (6)	O3—P1—O2	108.01 (14)
O4—Cs1—O8^iii	77.41 (6)	O5—P1—O2	108.11 (13)
O6^ii—Cs1—O8^iii	93.45 (6)	O6—P1—Cs1^v	57.12 (10)
O3^ii—Cs1—O8^iii	48.43 (6)	O3—P1—Cs1^v	93.80 (10)
O9—Cs1—O8^iii	121.21 (6)	O5—P1—Cs1^v	154.59 (10)
O6^i—Cs1—O2^i	46.05 (6)	O2—P1—Cs1^v	60.95 (9)
O4—Cs1—O2^i	129.85 (6)	O6—P1—Cs1^ix	53.38 (9)
O6^ii—Cs1—O2^i	119.60 (6)	O3—P1—Cs1^ix	54.03 (9)
O3^ii—Cs1—O2^i	145.55 (6)	O5—P1—Cs1^ix	128.99 (10)
O9—Cs1—O2^i	91.59 (6)	O2—P1—Cs1^ix	122.89 (9)
O8^iii—Cs1—O2^i	125.93 (6)	Cs1^v—P1—Cs1^ix	66.622 (15)
O6^i—Cs1—O2	157.68 (6)	O6—P1—Cs1^iv	96.15 (10)
O4—Cs1—O2	42.27 (6)	O3—P1—Cs1^iv	77.45 (10)
O6^ii—Cs1—O2	66.64 (6)	O5—P1—Cs1^iv	45.98 (9)
O3^ii—Cs1—O2	80.50 (6)	O2—P1—Cs1^iv	150.66 (9)
O9—Cs1—O2	42.82 (6)	Cs1^v—P1—Cs1^iv	148.38 (2)
O8^iii—Cs1—O2	105.48 (6)	Cs1^ix—P1—Cs1^iv	84.192 (17)
O2^i—Cs1—O2	125.96 (5)	O8—P2—O1	112.83 (14)
O6^i—Cs1—O1^iii	55.15 (6)	O8—P2—O4	107.83 (14)
O4—Cs1—O1^iii	106.20 (6)	O1—P2—O4	106.78 (13)
O6^ii—Cs1—O1^iii	121.86 (6)	O8—P2—O7^iii	111.38 (13)
O3^ii—Cs1—O1^iii	86.09 (6)	O1—P2—O7^iii	111.28 (13)
O9—Cs1—O1^iii	129.45 (6)	O4—P2—O7^iii	106.36 (13)
O8^iii—Cs1—O1^iii	45.50 (6)	O8—P2—Cs1^x	56.78 (9)
O2^i—Cs1—O1^iii	80.45 (6)	O1—P2—Cs1^x	59.89 (10)
O2—Cs1—O1^iii	146.53 (6)	O4—P2—Cs1^x	104.16 (10)
O6^i—Cs1—O5^iv	94.11 (6)	O7^iii—P2—Cs1^x	149.45 (9)
O4—Cs1—O5^iv	105.02 (6)	O8—P2—Cs1	110.34 (10)
O6^ii—Cs1—O5^iv	50.40 (6)	O1—P2—Cs1	134.57 (10)
O3^ii—Cs1—O5^iv	95.51 (6)	O4—P2—Cs1	45.12 (9)
O9—Cs1—O5^iv	75.83 (6)	O7^iii—P2—Cs1	63.48 (9)
O8^iii—Cs1—O5^iv	143.85 (6)	Cs1^x—P2—Cs1	145.08 (2)
O2^i—Cs1—O5^iv	80.86 (6)	O9—B—O2	107.5 (3)
O2—Cs1—O5^iv	63.67 (6)	O9—B—O4	113.3 (3)
O1^iii—Cs1—O5^iv	148.74 (6)	O2—B—O4	103.0 (3)
O6^i—Cs1—B	162.67 (8)	O9—B—O7	111.1 (3)
O4—Cs1—B	25.65 (7)	O2—B—O7	112.5 (3)
O6^ii—Cs1—B	91.82 (8)	O4—B—O7	109.2 (3)
O3^ii—Cs1—B	96.38 (8)	O9—B—Cs1	69.33 (17)
O9—Cs1—B	25.03 (8)	O2—B—Cs1	70.89 (17)
O8^iii—Cs1—B	102.35 (8)	O4—B—Cs1	67.21 (16)
O2^i—Cs1—B	116.62 (8)	O7—B—Cs1	175.9 (2)
O2—Cs1—B	25.34 (7)	O9—B—Cs1^v	159.2 (2)
O1^iii—Cs1—B	129.57 (7)	O2—B—Cs1^v	52.83 (15)
O5^iv—Cs1—B	81.39 (7)	O4—B—Cs1^v	70.14 (17)
O6^i—Cs1—O7^iii	117.69 (6)	O7—B—Cs1^v	85.56 (18)
O4—Cs1—O7^iii	42.20 (5)	Cs1—B—Cs1^v	94.96 (9)
O6^ii—Cs1—O7^iii	128.77 (6)	P2—O1—Mn^vi	130.02 (15)
O3^ii—Cs1—O7^iii	90.55 (6)	P2—O1—Cs1^x	96.67 (11)
O9—Cs1—O7^iii	72.34 (6)	Mn^vi—O1—Cs1^x	100.88 (9)
O8^iii—Cs1—O7^iii	53.42 (6)	B—O2—P1	126.7 (2)
O2^i—Cs1—O7^iii	111.64 (6)	B—O2—Cs1^v	105.94 (19)
O2—Cs1—O7^iii	84.47 (5)	P1—O2—Cs1^v	94.09 (10)
O1^iii—Cs1—O7^iii	65.02 (5)	B—O2—Cs1	83.77 (18)
O5^iv—Cs1—O7^iii	145.91 (6)	P1—O2—Cs1	132.51 (12)
B—Cs1—O7^iii	64.59 (7)	Cs1^v—O2—Cs1	113.00 (7)
O5^v—Mn—O3^ii	93.50 (11)	P1—O3—Mn^ix	142.91 (15)
O5^v—Mn—O8^iii	178.14 (11)	P1—O3—Cs1^ix	103.21 (11)
O3^ii—Mn—O8^iii	87.04 (10)	Mn^ix—O3—Cs1^ix	113.62 (9)
O5^v—Mn—O1^vi	90.16 (11)	B—O4—P2	130.8 (2)
O3^ii—Mn—O1^vi	169.79 (11)	B—O4—Cs1	87.14 (18)
O8^iii—Mn—O1^vi	89.02 (10)	P2—O4—Cs1	114.49 (12)
O5^v—Mn—O6^vii	88.50 (10)	B—O4—Cs1^v	87.60 (18)
O3^ii—Mn—O6^vii	93.91 (10)	P2—O4—Cs1^v	124.25 (12)
O8^iii—Mn—O6^vii	93.23 (10)	Cs1—O4—Cs1^v	104.41 (6)
O1^vi—Mn—O6^vii	95.71 (10)	P1—O5—Mn^i	134.97 (15)
O5^v—Mn—O9^v	91.76 (10)	P1—O5—Cs1^iv	114.85 (11)
O3^ii—Mn—O9^v	89.40 (10)	Mn^i—O5—Cs1^iv	107.88 (9)
O8^iii—Mn—O9^v	86.47 (10)	P1—O6—Mn^xi	141.64 (15)
O1^vi—Mn—O9^v	80.95 (10)	P1—O6—Cs1^v	99.15 (12)
O6^vii—Mn—O9^v	176.65 (10)	Mn^xi—O6—Cs1^v	102.86 (9)
O5^v—Mn—Cs1^viii	73.57 (8)	P1—O6—Cs1^ix	104.12 (11)
O3^ii—Mn—Cs1^viii	138.55 (8)	Mn^xi—O6—Cs1^ix	109.79 (9)
O8^iii—Mn—Cs1^viii	107.16 (7)	Cs1^v—O6—Cs1^ix	81.81 (6)
O1^vi—Mn—Cs1^viii	51.66 (7)	B—O7—P2^x	131.9 (2)
O6^vii—Mn—Cs1^viii	47.73 (7)	B—O7—Cs1^x	124.75 (18)
O9^v—Mn—Cs1^viii	129.24 (6)	P2^x—O7—Cs1^x	94.06 (10)
O5^v—Mn—Cs1	135.87 (8)	P2—O8—Mn^x	139.31 (15)
O3^ii—Mn—Cs1	42.55 (7)	P2—O8—Cs1^x	100.12 (11)
O8^iii—Mn—Cs1	44.55 (7)	Mn^x—O8—Cs1^x	110.82 (10)
O1^vi—Mn—Cs1	132.36 (7)	B—O9—Mn^i	111.0 (2)
O6^vii—Mn—Cs1	96.79 (7)	B—O9—Cs1	85.64 (18)
O9^v—Mn—Cs1	85.34 (6)	Mn^i—O9—Cs1	121.11 (9)
Cs1^viii—Mn—Cs1	138.181 (13)	B—O9—H	118 (4)
O5^v—Mn—Cs1^ii	47.53 (7)	Mn^i—O9—H	116 (4)
O3^ii—Mn—Cs1^ii	83.74 (7)	Cs1—O9—H	102 (4)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O9—H···O9^xii	0.88 (1)	2.48 (4)	3.215 (5)	141 (5)

Symmetry code: (xii) −x+1, −y, −z.