Dicaesium tetra­magnesium penta­kis­(carbonate) deca­hydrate, Cs2Mg4(CO3)5·10H2O

Rincke, C.; Schmidt, H.; Voigt, W.

doi:10.1107/S2414314620001650

inorganic compounds

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ISSN: 2414-3146

Volume 5| Part 2| February 2020| x200165

https://doi.org/10.1107/S2414314620001650

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Dicaesium tetramagnesium pentakis(carbonate) decahydrate, Cs₂Mg₄(CO₃)₅·10H₂O

Christine Rincke,^a ^* Horst Schmidt ^a and Wolfgang Voigt ^a

^aInstitute of Inorganic Chemistry, TU Bergakademie Freiberg, Leipziger Str. 29, D-09599 Freiberg, Germany
^*Correspondence e-mail: christine.rincke@chemie.tu-freiberg.de

Edited by M. Weil, Vienna University of Technology, Austria (Received 8 January 2020; accepted 5 February 2020; online 11 February 2020)

The title carbonate hydrate, Cs₂Mg₄(CO₃)₅·10H₂O, was crystallized at room temperature out of aqueous solutions containing caesium bicarbonate and magnesium nitrate. Its monoclinic crystal structure (P2₁/n) consists of double chains of composition ¹_∞[Mg(H₂O)_2/1(CO₃)_3/3], isolated [Mg(H₂O)(CO₃)₂]^2– units, two crystallographically distinct Cs⁺ ions and a free water molecule. The crystal under investigation was twinned by reticular pseudomerohedry.

Keywords: carbonate; hydrate; magnesium compound; caesium compound; twinning; crystal structure.

CCDC reference: 1982137

Structure description

Up to now, only two magnesium salts containing hydrogenbiscarbonate anions [H(CO₃)₂^3–] were known, viz. KMgH(CO₃)₂·4H₂O and RbMgH(CO₃)₂·4H₂O. Both can be crystallized at room temperature by combination of an aqueous solution of the alkali metal bicarbonate and an aqueous solution of magnesium chloride or nitrate (Fernandes et al., 1988 ; Dahm, 2000 ). The synthesis of the analogous caesium compound was not successful (Gloss, 1937 ). Tkachev et al. (1978 ) reported on the synthesis of CsMgH(CO₃)₂·0.5H₂O, but details about the conditions of formation were missing. In our current investigations on that matter, the title compound was found instead of a hydrogenbiscarbonate.

Cs₂Mg₄(CO₃)₅·10H₂O crystallizes in the space group P2₁/n and contains four slightly distorted [MgO₆] octahedra (Fig. 1). Each of the magnesium cations Mg1, Mg3 and Mg4 forms [Mg(H₂O)₂(CO₃)₃]^4– units that are linked by bridging carbonate anions of the carbon atoms C1, C2 and C3 (Fig. 2). Each carbonate anion bonds in a bidentate mode to one and in a monodentate to the other cations (Figs. 1, 2). In each octahedron, the water molecules are located in the trans-positions and have no bridging character. In this way, double chains of composition ¹_∞[Mg(H₂O)_2/1(CO₃)_3/3] are formed, extending parallel to the [ $[\overline{1}]$ 01] direction (Fig. 3). Between these double chains, isolated [Mg(H₂O)₃(CO₃)₂]^2– units involving the Mg2 cation are located (Fig. 4). The Mg2 cation is also octahedrally coordinated, in this case by three water molecules and two carbonate anions (C4, C5) in a monodentate and a bidentate fashion, respectively (Fig. 1). The ¹_∞[Mg(H₂O)_2/1(CO₃)_3/3] double chains and the isolated [Mg(H₂O)₃(CO₃)₂]^2– units form alternating sheets parallel to (010) (Fig. 4).

Figure 1
The expanded asymmetric unit of Cs₂Mg₄(CO₃)₅·10H₂O showing the coordination polyhedra around the four Mg sites. Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (ii) x − $[{1\over 2}]$ , −y + $[{3\over 2}]$ , z + $[{1\over 2}]$ ; (v) x + $[{1\over 2}]$ , −y + $[{3\over 2}]$ , z − $[{1\over 2}]$ ; (x) x + 1, y, z − 1.]

Figure 2
Double chain built up from octahedra around Mg1, Mg3 and Mg4 and carbonate units. [Symmetry codes: (ii) x − $[{1\over 2}]$ , −y + $[{3\over 2}]$ , z + $[{1\over 2}]$ ; (v) x + $[{1\over 2}]$ , −y + $[{3\over 2}]$ , z − $[{1\over 2}]$ ; (x) x + 1, y, z − 1.]

Figure 3
The crystal structure of Cs₂Mg₄(CO₃)₅·10H₂O in a view along the b axis.

Figure 4
The crystal structure of Cs₂Mg₄(CO₃)₅·10H₂O in a view along the a axis.

The C—O bonds of the carbonate units range from 1.252 (12) to 1.316 (11) Å and the O—C—O angles from 114.8 (8) to 124.4 (8)°. In comparison with other crystal structures containing carbonate units and deposited in the Inorganic Structure Database (ICSD; Zagorac et al., 2019 ), these deviations of the bond lengths and angles from ideal values of a equilateral triangle are not unusual (Cirpus, 1997 ). As a result, the symmetry of the carbonate anions deviates significantly from ideal D_3h; however, the sum of all O—C—O angles remains 360° and planarity is kept, which is typical for all carbonate structures (Zemann, 1981 ; Cirpus, 1997).

The two caesium cations interconnect two adjacent double chains and four (Cs1) and three (Cs2) [Mg2(H₂O)₃(CO₃)₂]^2– units, respectively, thereby generating a three-dimensional framework. The coordination numbers of the caesium cations are [6 + 12] for Cs1 and [7 + 6] for Cs2, whereby the first numeral indicates the number of the coordinating O atoms with a distance between 3.06 to 3.44 Å and the second number the number of O atoms with a distance between 3.44 and 4.12 Å. The Cs1 cation is coordinated by ten water molecules and four carbonate units (Fig. 5), the Cs2 cation by five water molecules and eight carbonate units (Fig. 6). The [Cs1O₁₈] polyhedron is connected with another [Cs1O₁₈] polyhedron by face-sharing through O8W, O8Wⁱⁱⁱ, O10W and O10Wⁱⁱⁱ and is also linked by sharing corners to four [Cs2O₁₃] polyhedra through O2W^iv, O11ⁱ, O6Wⁱⁱ and O22. Likewise, a [Cs2O₁₃] polyhedron is linked by face-sharing through O42^vii, O42^viii, O53^vii and O53^viii with another [Cs2O₁₃] polyhedron and by edge-sharing with two [Cs2O₁₃] polyhedra through O9W and O9W^vii (Fig. 7).

Figure 5
Coordination sphere of the Cs1 cation, with all atoms drawn as spheres of arbitrary radii (oxygen atoms not coordinating to Cs with half of the size of other O atoms). [Symmetry codes: (i) x − 1, y, z; (ii) x − $[{1\over 2}]$ , −y + $[{3\over 2}]$ , z + $[{1\over 2}]$ ; (iii) −x + 2, −y + 1, −z; (iv) x − $[{1\over 2}]$ , −y + $[{3\over 2}]$ , z − $[{1\over 2}]$ ; (v) x + $[{1\over 2}]$ , −y + $[{3\over 2}]$ , z − $[{1\over 2}]$ ; (vi) −x + $[{3\over 2}]$ , y + $[{1\over 2}]$ , −z + $[{1\over 2}]$ .]

Figure 6
Coordination sphere of the Cs2 cation, with all atoms drawn as spheres of arbitrary radii (oxygen atoms not coordinating to Cs with half of the size of other O atoms). [Symmetry codes: (vii) −x + 2, −y + 1, −z + 1; (viii) x + 1, y, z; (ix) −x + 3, −y + 1, -z.]

Figure 7
Linkage of Cs cations by O atoms, with all atoms drawn as spheres of arbitrary radii (other atoms are left out for clarity). [Symmetry codes: (i) x − 1, y, z; (ii) x − $[{1\over 2}]$ , −y + $[{3\over 2}]$ , z + $[{1\over 2}]$ ; (iii) −x + 2, −y + 1, −z; (iv) x − $[{1\over 2}]$ , −y + $[{3\over 2}]$ , z − $[{1\over 2}]$ ; (vii) −x + 2, −y + 1, −z + 1; (viii) x + 1, y, z; (ix) −x + 3, −y + 1, −z; (xi) −x + 3, −y + 1, −z + 1; (xvi) −x + $[{5\over 2}]$ , y + $[{1\over 2}]$ , −z + $[{1\over 2}]$ ; (xviii) −x + $[{5\over 2}]$ , y − $[{1\over 2}]$ , −z + $[{1\over 2}]$ .]

Additional stability in the crystal structure is accomplished by hydrogen bonds between the water molecules of the double chains, the [Mg2(H₂O)₃(CO₃)₂]^2– units and the free water molecule (H25A—O25—H25B) (Fig. 8, Table 1). The shortest hydrogen bonds are built between O4W—H4B⋯O51ⁱ, O10W—H10B⋯O22, O4W—H4A⋯O43ⁱⁱ and O6W—H6B⋯O52^vi with H⋯O distances < 2.00 Å (Table 1). The bond length correlates with the strength of the hydrogen bonds (Steiner, 2002 ), and in the present case the strength of the hydrogen bonding is considered to be moderate.

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1A⋯O51	0.82 (5)	1.85 (6)	2.658 (10)	172 (12)
O1W—H1B⋯O43ⁱ	0.83 (5)	1.89 (6)	2.686 (11)	162 (12)
O2W—H2A⋯O52ⁱⁱ	0.80 (5)	2.01 (6)	2.783 (11)	160 (12)
O2W—H2B⋯O42ⁱⁱⁱ	0.81 (5)	1.93 (6)	2.734 (12)	170 (13)
O3W—H3A⋯O52^iv	0.82 (5)	2.23 (6)	2.993 (12)	157 (11)
O3W—H3B⋯O41^v	0.82 (5)	1.92 (6)	2.737 (11)	175 (12)
O4W—H4A⋯O43^vi	0.82 (5)	1.93 (6)	2.724 (11)	162 (13)
O4W—H4B⋯O51ⁱⁱ	0.82 (5)	1.84 (6)	2.661 (9)	174 (14)
O5W—H5A⋯O52^vii	0.82 (5)	2.04 (6)	2.853 (10)	169 (13)
O5W—H5B⋯O41^viii	0.80 (5)	2.05 (6)	2.831 (10)	164 (13)
O6W—H6A⋯O43^v	0.84 (5)	2.21 (6)	3.021 (13)	165 (13)
O6W—H6B⋯O52^ix	0.81 (5)	1.98 (6)	2.783 (10)	174 (13)
O7W—H7B⋯O23^x	0.83 (5)	2.07 (7)	2.843 (10)	155 (13)
O8W—H8A⋯O10W	0.82 (5)	2.02 (6)	2.815 (10)	165 (13)
O8W—H8B⋯O10W^v	0.82 (5)	2.02 (7)	2.815 (10)	164 (15)
O9W—H9A⋯O31	0.82 (5)	2.09 (7)	2.869 (10)	161 (13)
O9W—H9B⋯O32ⁱⁱⁱ	0.82 (5)	1.87 (7)	2.673 (10)	170 (13)
O10W—H10A⋯O13^viii	0.81 (5)	2.01 (6)	2.798 (9)	162 (13)
O10W—H10B⋯O22	0.90 (13)	1.84 (13)	2.730 (10)	169 (12)
Symmetry codes: (i) $[-x+{\script{3\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) x+1, y, z; (iii) -x+2, -y+1, -z+1; (iv) $[x+{\script{1\over 2}}, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ ; (v) -x+2, -y+1, -z; (vi) $[-x+{\script{5\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (vii) $[x+{\script{3\over 2}}, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ ; (viii) -x+3, -y+1, -z; (ix) x+1, y, z-1; (x) x-1, y, z.

Figure 8
Interconnection of double chains (at the corners), the [Mg2(H₂O)₃(CO₃)₂]^2– units (in the middle) and the free water molecule via hydrogen bonds in the crystal structure of Cs₂Mg₄(CO₃)₅·10H₂O. Hydrogen bonds are represented by dashed lines; Cs atoms are omitted for clarity.

For the crystal structures of other alkali metal magnesium carbonates and hydrogen bis(carbonates), see: KMgH(CO₃)₂·4H₂O (Fernandes et al., 1988), RbMgH(CO₃)₂·4H₂O (Dahm, 2000), K₂Mg(CO₃)₂·4H₂O (Bucat et al., 1977 ), Rb₂Mg(CO₃)₂·4H₂O (Zheng & Adam, 1994 ), Cs₂Mg(CO₃)₂·4H₂O (Zheng & Adam, 1999 ).

Synthesis and crystallization

The synthesis was derived from the information for crystallization of KMgH(CO₃)₂·4H₂O as reported by Fernandes et al. (1988). CO₂ was bubbled through a solution of Cs₂CO₃ (9.043 g, Merck, > 99.5%) and water (22.120 g) for three h. Afterwards, a solution of Mg(NO₃)₂·6H₂O (1.041 g, Merck, p.a.) and water (2.643 g) was added and stored in a sealed bottle for 2 d. A crystalline solid was formed and filtered off. The characterization with powder X-ray diffraction showed that the product was a mixture of MgCO₃·3H₂O and the title compound.

After filtration the remaining solution was stored in a sealed bottle for 14 d at room temperature. During this period further acicular crystals (200 x 20 µm) were formed. The product was washed with ethanol and characterized by powder X-ray diffraction, thermal analysis, FT–IR spectroscopy and SEM (see: supporting information). Some crystals were kept in the mother solution in a sealed vessel for one month. Afterwards a suitable crystal for the single-crystal determination was selected.

Refinement

Crystal data, data collection and structure refinement details are summarized in Table 2. If twinning is not accounted for, the reflections can be indexed by a large orthorhombic cell, but the subsequent refinement did not result in an useful structure model. Close inspection of the diffraction pattern revealed the presence of two monoclinic cells (P2₁/n) with lattice parameters of a = 9.1617 (9), b = 19.233 (3), c = 13.0065 (13) Å, β = 91.136 (8)°. Therefore the crystal under investigation exhibited twinning by reticular pseudomerohedry; the matrix that relates the individual diffraction pattern was determined as (− $[1\over3]$ 0 − $[2\over3]$ , 0 −1 0, − $[4\over3]$ 0 $[1\over3]$ ). The reflections of both domains were integrated concurrently, leading to the following numbers. Reflections belonging to domain 1: 16785; reflections belonging to domain 2: 26839; overlaid reflections: 10073; major twin component fraction: 56%.

Table 2
Experimental details

Crystal data
Chemical formula	Cs₂Mg₄(CO₃)₅·10H₂O
M_r	843.27
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	200
a, b, c (Å)	9.1617 (9), 19.233 (3), 13.0065 (13)
β (°)	91.136 (8)
V (Å³)	2291.4 (4)
Z	4
Radiation type	Mo Kα
μ (mm⁻¹)	3.41
Crystal size (mm)	0.6 × 0.45 × 0.25

Data collection
Diffractometer	STOE IPDS 2T
Absorption correction	Integration (Coppens, 1970 )
T_min, T_max	0.151, 0.439
No. of measured, independent and observed [I > 2σ(I)] reflections	37526, 37526, 31786
R_int	0.086
(sin θ/λ)_max (Å⁻¹)	0.650

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.073, 0.274, 1.22
No. of reflections	37526
No. of parameters	386
No. of restraints	19
H-atom treatment	Only H-atom coordinates refined
Δρ_max, Δρ_min (e Å⁻³)	3.48, −2.86
Computer programs: X-AREA and X-RED (Stoe & Cie, 2015 ), SHELXS97 (Sheldrick, 2008 ), SHELXL2016/6 (Sheldrick, 2015 ), DIAMOND (Brandenburg, 2017 ) and publCIF (Westrip, 2010 ).

Structure solution permitted the assignment of all heavy atoms and the subsequent refinement leads to a chemical sensible atomic arrangement. All H atoms were discernable from difference-Fourier maps and refined with an O—H distance restraint of 0.82(2) Å and U_iso(H) = 1.2U_eq(O).

Structural data

CCDC reference: 1982137

Crystal structure: contains datablock I. DOI: https://doi.org/10.1107/S2414314620001650/wm4122sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S2414314620001650/wm4122Isup2.hkl

Characterization of the title compound by thermal analysis, SEM, powder X-ray diffraction and IR spectroscopy. DOI: https://doi.org/10.1107/S2414314620001650/wm4122sup3.pdf

Supporting information file. DOI: https://doi.org/10.1107/S2414314620001650/wm4122Isup4.cml

checkCIF report

Computing details top

Data collection: X-AREA (Stoe & Cie, 2015); cell refinement: X-AREA (Stoe & Cie, 2015); data reduction: X-RED (Stoe & Cie, 2015); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2016/6 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 2017); software used to prepare material for publication: publCIF (Westrip, 2010).

Dicaesium tetramagnesium pentakis(carbonate) decahydrate top

Crystal data top

Cs₂Mg₄(CO₃)₅·10H₂O	F(000) = 1632
M_r = 843.27	D_x = 2.444 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
a = 9.1617 (9) Å	Cell parameters from 11266 reflections
b = 19.233 (3) Å	θ = 10.0–27.5°
c = 13.0065 (13) Å	µ = 3.41 mm⁻¹
β = 91.136 (8)°	T = 200 K
V = 2291.4 (4) Å³	Needle, colorless
Z = 4	0.6 × 0.45 × 0.25 mm

Data collection top

STOE IPDS 2T diffractometer	37526 independent reflections
Radiation source: sealed X-ray tube, 12 x 0.4 mm long-fine focus	31786 reflections with I > 2σ(I)
Plane graphite monochromator	R_int = 0.086
Detector resolution: 6.67 pixels mm^-1	θ_max = 27.5°, θ_min = 2.7°
rotation method scans	h = −11→11
Absorption correction: integration (Coppens, 1970)	k = −24→24
T_min = 0.151, T_max = 0.439	l = −16→16
37526 measured reflections

Refinement top

Refinement on F²	19 restraints
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F² > 2σ(F²)] = 0.073	Only H-atom coordinates refined
wR(F²) = 0.274	w = 1/[σ²(F_o²) + (0.2P)²] where P = (F_o² + 2F_c²)/3
S = 1.22	(Δ/σ)_max = 0.001
37526 reflections	Δρ_max = 3.48 e Å⁻³
386 parameters	Δρ_min = −2.86 e Å⁻³

Special details top

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 two-component twin. All H atoms were discernable from difference Fourier maps. Their U_iso values were set at 1.2U_eq(O) using a riding-model approximation, with O—H distance restraint of 0.82 (2) Å.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Cs1	1.00975 (7)	0.66121 (4)	−0.01626 (5)	0.0303 (3)
Cs2	1.32369 (7)	0.49560 (3)	0.40043 (5)	0.0264 (3)
Mg1	1.1797 (3)	0.68437 (15)	0.3146 (2)	0.0151 (6)
Mg2	0.7423 (3)	0.50315 (14)	0.2539 (2)	0.0180 (6)
Mg3	1.5193 (3)	0.68707 (16)	−0.0165 (2)	0.0149 (6)
Mg4	1.8523 (3)	0.68950 (15)	−0.3500 (2)	0.0148 (6)
C1	1.6693 (10)	0.6520 (4)	−0.1682 (7)	0.0151 (17)
C2	1.3367 (10)	0.6479 (5)	0.1655 (7)	0.0157 (17)
C3	0.9960 (9)	0.6486 (5)	0.4985 (7)	0.0159 (18)
C4	0.6528 (9)	0.3691 (5)	0.3489 (7)	0.0159 (15)
C5	0.6780 (9)	0.6242 (5)	0.3186 (6)	0.0161 (15)
O1W	0.9961 (8)	0.6901 (4)	0.2222 (6)	0.0214 (13)
H1A	0.927 (10)	0.664 (6)	0.231 (10)	0.026*
H1B	0.972 (13)	0.729 (4)	0.201 (10)	0.026*
O2W	1.3628 (8)	0.6785 (4)	0.4098 (6)	0.0226 (14)
H2A	1.437 (9)	0.678 (7)	0.378 (8)	0.027*
H2B	1.375 (14)	0.658 (6)	0.464 (6)	0.027*
O31	1.0684 (8)	0.6279 (4)	0.4208 (5)	0.0200 (13)
O21	1.3187 (7)	0.7114 (3)	0.1938 (5)	0.0185 (12)
O22	1.2623 (8)	0.6024 (3)	0.2168 (5)	0.0211 (13)
O23	1.4196 (8)	0.6297 (4)	0.0929 (5)	0.0197 (13)
O3W	1.3266 (8)	0.6867 (4)	−0.1057 (6)	0.0204 (13)
H3B	1.318 (14)	0.662 (6)	−0.157 (7)	0.025*
H3A	1.301 (13)	0.725 (4)	−0.126 (9)	0.025*
O4W	1.7042 (8)	0.6938 (4)	0.0761 (6)	0.0220 (14)
H4B	1.726 (14)	0.667 (6)	0.123 (8)	0.026*
H4A	1.734 (14)	0.731 (4)	0.102 (9)	0.026*
O5W	2.0403 (8)	0.6925 (4)	−0.2549 (6)	0.0218 (14)
H5B	2.097 (11)	0.661 (5)	−0.258 (10)	0.026*
H5A	2.074 (13)	0.730 (4)	−0.233 (10)	0.026*
O6W	1.6622 (8)	0.6890 (4)	−0.4404 (6)	0.0227 (14)
H6A	1.576 (7)	0.684 (7)	−0.421 (10)	0.027*
H6B	1.652 (14)	0.690 (7)	−0.502 (4)	0.027*
O11	1.7447 (8)	0.6338 (4)	−0.2448 (5)	0.0220 (14)
O12	1.6439 (8)	0.7159 (3)	−0.1449 (5)	0.0200 (13)
O13	1.6152 (7)	0.6063 (3)	−0.1054 (5)	0.0176 (12)
O7W	0.5600 (9)	0.5047 (3)	0.1568 (7)	0.0302 (16)
H7A	0.601 (15)	0.512 (8)	0.100 (7)	0.036*
H7B	0.527 (14)	0.545 (4)	0.156 (11)	0.036*
O8W	0.8731 (8)	0.4854 (4)	0.1256 (5)	0.0280 (14)
H8A	0.960 (7)	0.495 (6)	0.122 (12)	0.034*
H8B	0.843 (15)	0.490 (7)	0.066 (5)	0.034*
O51	0.7580 (7)	0.6121 (3)	0.2376 (5)	0.0182 (12)
O52	0.6504 (8)	0.6860 (3)	0.3457 (6)	0.0231 (13)
O41	0.7184 (8)	0.3984 (3)	0.2720 (5)	0.0241 (13)
O42	0.6027 (12)	0.4052 (5)	0.4216 (7)	0.049 (2)
O43	0.6392 (11)	0.3043 (4)	0.3508 (7)	0.040 (2)
O32	0.9441 (7)	0.6056 (3)	0.5649 (5)	0.0186 (13)
O33	0.9686 (8)	0.7136 (3)	0.5157 (5)	0.0177 (12)
O9W	0.9293 (9)	0.5041 (3)	0.3441 (6)	0.0283 (15)
H9B	0.959 (14)	0.468 (4)	0.370 (10)	0.034*
H9A	0.949 (14)	0.542 (4)	0.369 (10)	0.034*
O53	0.6312 (7)	0.5693 (4)	0.3652 (5)	0.0261 (14)
O10W	1.1733 (8)	0.4982 (3)	0.0876 (5)	0.0222 (14)
H10A	1.223 (12)	0.465 (5)	0.103 (9)	0.027*
H10B	1.214 (14)	0.531 (7)	0.128 (10)	0.027*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cs1	0.0293 (4)	0.0358 (4)	0.0260 (4)	−0.0016 (2)	0.0086 (3)	−0.0031 (2)
Cs2	0.0259 (4)	0.0232 (4)	0.0301 (4)	−0.00246 (19)	0.0027 (3)	0.0020 (2)
Mg1	0.0138 (15)	0.0184 (14)	0.0132 (15)	−0.0001 (10)	0.0024 (11)	−0.0003 (11)
Mg2	0.0192 (15)	0.0154 (14)	0.0195 (14)	−0.0015 (9)	0.0023 (12)	0.0001 (10)
Mg3	0.0136 (14)	0.0178 (14)	0.0135 (15)	0.0011 (10)	0.0036 (11)	0.0000 (10)
Mg4	0.0127 (14)	0.0188 (14)	0.0129 (15)	0.0006 (10)	0.0027 (11)	0.0000 (11)
C1	0.015 (4)	0.015 (4)	0.015 (4)	−0.002 (3)	−0.004 (3)	0.000 (3)
C2	0.016 (4)	0.018 (4)	0.013 (4)	0.003 (3)	−0.003 (3)	0.001 (3)
C3	0.014 (4)	0.018 (4)	0.015 (4)	0.001 (3)	−0.008 (3)	0.000 (3)
C4	0.010 (3)	0.023 (4)	0.015 (4)	−0.004 (3)	−0.002 (3)	0.003 (3)
C5	0.010 (4)	0.027 (4)	0.011 (4)	−0.004 (3)	0.000 (3)	0.002 (3)
O1W	0.016 (3)	0.023 (3)	0.025 (4)	−0.003 (2)	−0.001 (3)	0.003 (3)
O2W	0.017 (3)	0.035 (4)	0.016 (3)	0.002 (3)	0.002 (2)	0.006 (3)
O31	0.023 (3)	0.022 (3)	0.015 (3)	0.001 (2)	0.008 (3)	−0.004 (2)
O21	0.022 (3)	0.017 (3)	0.017 (3)	0.001 (2)	0.006 (2)	0.001 (2)
O22	0.021 (3)	0.022 (3)	0.021 (3)	−0.001 (2)	0.011 (3)	0.003 (2)
O23	0.019 (3)	0.022 (3)	0.018 (3)	0.002 (2)	0.007 (3)	0.001 (2)
O3W	0.019 (3)	0.023 (3)	0.019 (4)	0.002 (2)	0.000 (3)	−0.005 (3)
O4W	0.021 (3)	0.027 (3)	0.018 (3)	−0.001 (2)	−0.004 (3)	0.006 (3)
O5W	0.019 (3)	0.028 (3)	0.018 (3)	0.004 (2)	−0.001 (3)	−0.003 (3)
O6W	0.014 (3)	0.037 (4)	0.017 (3)	−0.004 (3)	0.000 (2)	−0.002 (3)
O11	0.025 (4)	0.026 (3)	0.016 (3)	0.000 (3)	0.010 (3)	0.002 (3)
O12	0.026 (4)	0.016 (3)	0.017 (3)	0.002 (2)	0.005 (3)	0.002 (2)
O13	0.015 (3)	0.022 (3)	0.016 (3)	−0.002 (2)	0.007 (2)	0.002 (2)
O7W	0.023 (4)	0.020 (3)	0.046 (4)	0.002 (2)	−0.011 (3)	−0.002 (3)
O8W	0.021 (3)	0.042 (4)	0.021 (3)	0.000 (3)	0.006 (3)	0.002 (3)
O51	0.020 (3)	0.016 (3)	0.019 (3)	0.001 (2)	0.004 (2)	0.001 (2)
O52	0.026 (3)	0.018 (3)	0.026 (3)	0.002 (2)	0.001 (3)	−0.001 (3)
O41	0.035 (3)	0.018 (3)	0.019 (3)	−0.008 (3)	0.007 (3)	0.002 (2)
O42	0.075 (6)	0.044 (5)	0.030 (4)	0.027 (4)	0.023 (4)	0.000 (3)
O43	0.070 (6)	0.021 (3)	0.030 (4)	−0.009 (4)	−0.007 (4)	0.009 (3)
O32	0.018 (3)	0.022 (3)	0.016 (3)	−0.001 (2)	0.005 (2)	0.002 (2)
O33	0.021 (3)	0.017 (3)	0.015 (3)	0.001 (2)	0.004 (2)	−0.001 (2)
O9W	0.030 (4)	0.019 (3)	0.035 (4)	0.000 (2)	−0.012 (3)	0.004 (3)
O53	0.030 (3)	0.019 (3)	0.029 (3)	−0.001 (2)	0.010 (3)	0.003 (3)
O10W	0.020 (3)	0.024 (4)	0.023 (3)	0.000 (2)	0.001 (3)	−0.002 (2)

Geometric parameters (Å, º) top

Cs1—O4Wⁱ	3.132 (8)	Mg1—O21	2.107 (8)
Cs1—O1W	3.156 (8)	Mg1—O22	2.171 (8)
Cs1—O5Wⁱ	3.180 (8)	Mg2—O41	2.041 (7)
Cs1—O3W	3.187 (8)	Mg2—O9W	2.057 (9)
Cs1—O6Wⁱⁱ	3.342 (8)	Mg2—O7W	2.074 (9)
Cs1—O8Wⁱⁱⁱ	3.344 (8)	Mg2—O8W	2.102 (7)
Cs1—O2W^iv	3.492 (8)	Mg2—O51	2.111 (7)
Cs1—O10Wⁱⁱⁱ	3.607 (7)	Mg2—O53	2.193 (7)
Cs1—O52^v	3.689 (7)	Mg3—O33^v	2.012 (8)
Cs1—O10W	3.718 (7)	Mg3—O23	2.032 (7)
Cs1—O43^vi	3.767 (8)	Mg3—O4W	2.063 (7)
Cs1—O11ⁱ	3.837 (7)	Mg3—O3W	2.093 (7)
Cs1—O12ⁱ	3.862 (7)	Mg3—O12	2.116 (8)
Cs1—O13ⁱ	3.920 (7)	Mg3—O13	2.137 (7)
Cs1—O22	3.943 (7)	Mg4—O11	2.011 (7)
Cs1—O21	4.013 (7)	Mg4—O21^v	2.015 (7)
Cs1—O23	4.034 (7)	Mg4—O6W	2.082 (7)
Cs1—O8W	4.062 (8)	Mg4—O5W	2.101 (7)
Cs2—O42^vii	3.065 (10)	Mg4—O33^x	2.115 (8)
Cs2—O42^viii	3.099 (9)	Mg4—O32^x	2.139 (7)
Cs2—O32^vii	3.171 (7)	C1—O11	1.272 (11)
Cs2—O22	3.191 (7)	C1—O12	1.289 (11)
Cs2—O53^viii	3.195 (7)	C1—O13	1.305 (11)
Cs2—O11^ix	3.261 (7)	C2—O23	1.272 (11)
Cs2—O53^vii	3.312 (7)	C2—O21	1.286 (11)
Cs2—O31	3.470 (7)	C2—O22	1.302 (11)
Cs2—O2W	3.537 (8)	C3—O31	1.283 (11)
Cs2—O6W^ix	3.590 (8)	C3—O32	1.292 (11)
Cs2—O9W	3.676 (8)	C3—O33	1.296 (12)
Cs2—O7W^viii	3.877 (9)	C4—O43	1.252 (12)
Cs2—O9W^vii	4.090 (9)	C4—O42	1.267 (12)
Mg1—O12ⁱⁱ	2.017 (7)	C4—O41	1.305 (11)
Mg1—O31	2.045 (8)	C5—O52	1.266 (12)
Mg1—O1W	2.050 (8)	C5—O53	1.296 (11)
Mg1—O2W	2.068 (7)	C5—O51	1.316 (11)

O4Wⁱ—Cs1—O1W	62.25 (18)	O11^ix—Cs2—O9W^vii	113.60 (15)
O4Wⁱ—Cs1—O5Wⁱ	115.68 (19)	O53^vii—Cs2—O9W^vii	46.77 (15)
O1W—Cs1—O5Wⁱ	158.76 (19)	O31—Cs2—O9W^vii	62.82 (15)
O4Wⁱ—Cs1—O3W	159.55 (19)	O2W—Cs2—O9W^vii	91.69 (16)
O1W—Cs1—O3W	112.70 (19)	O6W^ix—Cs2—O9W^vii	84.43 (16)
O5Wⁱ—Cs1—O3W	61.06 (18)	O9W—Cs2—O9W^vii	65.87 (19)
O4Wⁱ—Cs1—O6Wⁱⁱ	94.90 (19)	O7W^viii—Cs2—O9W^vii	177.29 (14)
O1W—Cs1—O6Wⁱⁱ	65.32 (18)	O12ⁱⁱ—Mg1—O31	104.0 (3)
O5Wⁱ—Cs1—O6Wⁱⁱ	94.64 (19)	O12ⁱⁱ—Mg1—O1W	88.1 (3)
O3W—Cs1—O6Wⁱⁱ	66.23 (17)	O31—Mg1—O1W	90.6 (3)
O4Wⁱ—Cs1—O8Wⁱⁱⁱ	128.97 (18)	O12ⁱⁱ—Mg1—O2W	91.7 (3)
O1W—Cs1—O8Wⁱⁱⁱ	125.86 (18)	O31—Mg1—O2W	88.6 (3)
O5Wⁱ—Cs1—O8Wⁱⁱⁱ	73.09 (18)	O1W—Mg1—O2W	179.1 (3)
O3W—Cs1—O8Wⁱⁱⁱ	70.86 (17)	O12ⁱⁱ—Mg1—O21	93.7 (3)
O6Wⁱⁱ—Cs1—O8Wⁱⁱⁱ	135.78 (18)	O31—Mg1—O21	162.0 (3)
O4Wⁱ—Cs1—O2W^iv	65.55 (17)	O1W—Mg1—O21	92.9 (3)
O1W—Cs1—O2W^iv	95.32 (18)	O2W—Mg1—O21	88.0 (3)
O5Wⁱ—Cs1—O2W^iv	66.73 (17)	O12ⁱⁱ—Mg1—O22	154.6 (3)
O3W—Cs1—O2W^iv	96.47 (18)	O31—Mg1—O22	101.2 (3)
O6Wⁱⁱ—Cs1—O2W^iv	58.45 (17)	O1W—Mg1—O22	89.3 (3)
O8Wⁱⁱⁱ—Cs1—O2W^iv	138.81 (18)	O2W—Mg1—O22	91.3 (3)
O4Wⁱ—Cs1—O10Wⁱⁱⁱ	81.63 (18)	O21—Mg1—O22	61.3 (3)
O1W—Cs1—O10Wⁱⁱⁱ	112.04 (17)	O41—Mg2—O9W	91.9 (3)
O5Wⁱ—Cs1—O10Wⁱⁱⁱ	87.65 (17)	O41—Mg2—O7W	89.9 (3)
O3W—Cs1—O10Wⁱⁱⁱ	117.33 (17)	O9W—Mg2—O7W	176.9 (4)
O6Wⁱⁱ—Cs1—O10Wⁱⁱⁱ	176.43 (18)	O41—Mg2—O8W	89.7 (3)
O8Wⁱⁱⁱ—Cs1—O10Wⁱⁱⁱ	47.59 (17)	O9W—Mg2—O8W	88.4 (3)
O2W^iv—Cs1—O10Wⁱⁱⁱ	120.32 (16)	O7W—Mg2—O8W	89.1 (3)
O4Wⁱ—Cs1—O52^v	110.53 (17)	O41—Mg2—O51	177.6 (3)
O1W—Cs1—O52^v	111.04 (17)	O9W—Mg2—O51	89.5 (3)
O5Wⁱ—Cs1—O52^v	48.39 (17)	O7W—Mg2—O51	88.9 (3)
O3W—Cs1—O52^v	50.97 (17)	O8W—Mg2—O51	92.3 (3)
O6Wⁱⁱ—Cs1—O52^v	46.30 (17)	O41—Mg2—O53	116.4 (3)
O8Wⁱⁱⁱ—Cs1—O52^v	110.27 (17)	O9W—Mg2—O53	90.6 (3)
O2W^iv—Cs1—O52^v	45.51 (17)	O7W—Mg2—O53	90.9 (3)
O10Wⁱⁱⁱ—Cs1—O52^v	135.79 (15)	O8W—Mg2—O53	153.9 (3)
O4Wⁱ—Cs1—O10W	112.73 (17)	O51—Mg2—O53	61.6 (3)
O1W—Cs1—O10W	79.33 (17)	O33^v—Mg3—O23	105.2 (3)
O5Wⁱ—Cs1—O10W	118.15 (17)	O33^v—Mg3—O4W	90.5 (3)
O3W—Cs1—O10W	84.19 (17)	O23—Mg3—O4W	90.0 (3)
O6Wⁱⁱ—Cs1—O10W	117.17 (16)	O33^v—Mg3—O3W	85.6 (3)
O8Wⁱⁱⁱ—Cs1—O10W	46.62 (16)	O23—Mg3—O3W	90.0 (3)
O2W^iv—Cs1—O10W	174.40 (16)	O4W—Mg3—O3W	176.0 (3)
O10Wⁱⁱⁱ—Cs1—O10W	63.82 (19)	O33^v—Mg3—O12	92.6 (3)
O52^v—Cs1—O10W	134.94 (15)	O23—Mg3—O12	162.2 (3)
O4Wⁱ—Cs1—O43^vi	45.4 (2)	O4W—Mg3—O12	89.7 (3)
O1W—Cs1—O43^vi	44.59 (18)	O3W—Mg3—O12	91.5 (3)
O5Wⁱ—Cs1—O43^vi	117.36 (19)	O33^v—Mg3—O13	154.5 (3)
O3W—Cs1—O43^vi	116.1 (2)	O23—Mg3—O13	100.3 (3)
O6Wⁱⁱ—Cs1—O43^vi	49.9 (2)	O4W—Mg3—O13	91.2 (3)
O8Wⁱⁱⁱ—Cs1—O43^vi	169.12 (19)	O3W—Mg3—O13	92.8 (3)
O2W^iv—Cs1—O43^vi	50.96 (18)	O12—Mg3—O13	61.9 (3)
O10Wⁱⁱⁱ—Cs1—O43^vi	126.59 (19)	O11—Mg4—O21^v	103.4 (3)
O52^v—Cs1—O43^vi	80.2 (2)	O11—Mg4—O6W	88.1 (3)
O10W—Cs1—O43^vi	123.82 (17)	O21^v—Mg4—O6W	91.9 (3)
O4Wⁱ—Cs1—O11ⁱ	76.59 (17)	O11—Mg4—O5W	91.2 (3)
O1W—Cs1—O11ⁱ	138.48 (17)	O21^v—Mg4—O5W	86.3 (3)
O5Wⁱ—Cs1—O11ⁱ	48.42 (16)	O6W—Mg4—O5W	177.9 (3)
O3W—Cs1—O11ⁱ	107.78 (16)	O11—Mg4—O33^x	160.1 (3)
O6Wⁱⁱ—Cs1—O11ⁱ	126.97 (16)	O21^v—Mg4—O33^x	96.2 (3)
O8Wⁱⁱⁱ—Cs1—O11ⁱ	76.01 (17)	O6W—Mg4—O33^x	88.0 (3)
O2W^iv—Cs1—O11ⁱ	70.93 (16)	O5W—Mg4—O33^x	93.4 (3)
O10Wⁱⁱⁱ—Cs1—O11ⁱ	53.13 (15)	O11—Mg4—O32^x	98.8 (3)
C1ⁱ—Cs1—O11ⁱ	19.35 (18)	O21^v—Mg4—O32^x	157.5 (3)
O52^v—Cs1—O11ⁱ	87.38 (15)	O6W—Mg4—O32^x	92.2 (3)
O10W—Cs1—O11ⁱ	114.21 (15)	O5W—Mg4—O32^x	89.9 (3)
O43^vi—Cs1—O11ⁱ	108.19 (17)	O33^x—Mg4—O32^x	61.9 (3)
C2—Cs1—O11ⁱ	162.70 (18)	O11—C1—O12	123.4 (9)
O4Wⁱ—Cs1—O12ⁱ	48.47 (17)	O11—C1—O13	121.6 (8)
O1W—Cs1—O12ⁱ	109.07 (17)	O12—C1—O13	115.0 (8)
O5Wⁱ—Cs1—O12ⁱ	67.54 (17)	O23—C2—O21	123.8 (9)
O3W—Cs1—O12ⁱ	126.08 (17)	O23—C2—O22	121.4 (8)
O6Wⁱⁱ—Cs1—O12ⁱ	104.30 (15)	O21—C2—O22	114.8 (8)
O8Wⁱⁱⁱ—Cs1—O12ⁱ	109.18 (16)	O31—C3—O32	122.1 (8)
O2W^iv—Cs1—O12ⁱ	46.65 (15)	O31—C3—O33	122.7 (9)
O10Wⁱⁱⁱ—Cs1—O12ⁱ	74.03 (15)	O32—C3—O33	115.3 (8)
O52^v—Cs1—O12ⁱ	83.15 (15)	O43—C4—O42	119.5 (9)
O10W—Cs1—O12ⁱ	136.66 (15)	O43—C4—O41	119.5 (9)
O43^vi—Cs1—O12ⁱ	74.18 (17)	O42—C4—O41	121.0 (9)
C2—Cs1—O12ⁱ	163.24 (17)	O43—C4—Cs2ⁱ	122.3 (7)
O11ⁱ—Cs1—O12ⁱ	34.05 (15)	O52—C5—O53	124.4 (8)
O4Wⁱ—Cs1—O13ⁱ	48.80 (16)	O52—C5—O51	120.5 (8)
O1W—Cs1—O13ⁱ	106.49 (16)	O53—C5—O51	115.1 (8)
O5Wⁱ—Cs1—O13ⁱ	82.00 (16)	Mg1—O1W—Cs1	121.2 (3)
O3W—Cs1—O13ⁱ	140.80 (16)	Mg1—O2W—Cs1^xi	114.8 (3)
O6Wⁱⁱ—Cs1—O13ⁱ	134.21 (16)	Mg1—O2W—Cs2	87.3 (3)
O8Wⁱⁱⁱ—Cs1—O13ⁱ	87.06 (16)	Cs1^xi—O2W—Cs2	157.8 (2)
O2W^iv—Cs1—O13ⁱ	78.95 (15)	Mg1—O2W—Cs2^xii	141.2 (3)
O10Wⁱⁱⁱ—Cs1—O13ⁱ	43.39 (15)	Cs1^xi—O2W—Cs2^xii	103.85 (15)
O52^v—Cs1—O13ⁱ	113.57 (14)	Cs2—O2W—Cs2^xii	53.93 (10)
O10W—Cs1—O13ⁱ	104.06 (14)	C3—O31—Mg1	129.8 (6)
O43^vi—Cs1—O13ⁱ	91.34 (18)	C3—O31—Cs2	130.3 (6)
O11ⁱ—Cs1—O13ⁱ	33.70 (13)	Mg1—O31—Cs2	89.5 (2)
O12ⁱ—Cs1—O13ⁱ	32.64 (14)	C3—O31—Cs2^vii	52.0 (5)
O4Wⁱ—Cs1—O22	106.13 (16)	Mg1—O31—Cs2^vii	162.3 (3)
O1W—Cs1—O22	47.85 (16)	Cs2—O31—Cs2^vii	100.45 (15)
O5Wⁱ—Cs1—O22	138.01 (16)	C2—O21—Mg4ⁱⁱ	142.7 (7)
O3W—Cs1—O22	78.46 (16)	C2—O21—Mg1	93.6 (6)
O6Wⁱⁱ—Cs1—O22	77.57 (15)	Mg4ⁱⁱ—O21—Mg1	122.8 (4)
O8Wⁱⁱⁱ—Cs1—O22	84.08 (16)	C2—O21—Cs1	70.7 (5)
O2W^iv—Cs1—O22	133.02 (15)	Mg4ⁱⁱ—O21—Cs1	98.3 (2)
O10Wⁱⁱⁱ—Cs1—O22	102.53 (15)	Mg1—O21—Cs1	91.1 (2)
O52^v—Cs1—O22	113.41 (14)	C2—O21—Cs1^xi	131.5 (5)
O10W—Cs1—O22	41.62 (14)	Mg4ⁱⁱ—O21—Cs1^xi	71.6 (2)
O43^vi—Cs1—O22	89.08 (16)	Mg1—O21—Cs1^xi	75.9 (2)
O11ⁱ—Cs1—O22	155.36 (15)	Cs1—O21—Cs1^xi	154.06 (17)
O12ⁱ—Cs1—O22	154.45 (14)	C2—O21—Cs2	50.1 (5)
O13ⁱ—Cs1—O22	132.37 (15)	Mg4ⁱⁱ—O21—Cs2	161.5 (3)
O4Wⁱ—Cs1—O21	108.32 (16)	Mg1—O21—Cs2	52.20 (17)
O1W—Cs1—O21	47.90 (16)	Cs1—O21—Cs2	99.62 (13)
O5Wⁱ—Cs1—O21	123.01 (17)	Cs1^xi—O21—Cs2	90.13 (11)
O3W—Cs1—O21	64.93 (16)	C2—O22—Mg1	90.2 (5)
O6Wⁱⁱ—Cs1—O21	46.11 (15)	C2—O22—Cs2	136.9 (5)
O8Wⁱⁱⁱ—Cs1—O21	105.33 (16)	Mg1—O22—Cs2	95.0 (2)
O2W^iv—Cs1—O21	103.78 (15)	C2—O22—Cs1	73.7 (5)
O10Wⁱⁱⁱ—Cs1—O21	134.24 (15)	Mg1—O22—Cs1	92.1 (2)
O52^v—Cs1—O21	83.76 (14)	Cs2—O22—Cs1	148.4 (2)
O10W—Cs1—O21	71.43 (14)	C2—O23—Mg3	130.8 (6)
O43^vi—Cs1—O21	72.18 (17)	C2—O23—Cs1	69.8 (5)
O11ⁱ—Cs1—O21	170.94 (14)	Mg3—O23—Cs1	95.7 (2)
O12ⁱ—Cs1—O21	145.47 (16)	C2—O23—Cs2	54.2 (5)
O13ⁱ—Cs1—O21	154.19 (14)	Mg3—O23—Cs2	163.1 (3)
O22—Cs1—O21	31.80 (13)	Cs1—O23—Cs2	100.81 (14)
O4Wⁱ—Cs1—O23	136.71 (16)	Mg3—O3W—Cs1	124.2 (3)
O1W—Cs1—O23	74.65 (16)	Mg3—O4W—Cs1^viii	119.6 (3)
O5Wⁱ—Cs1—O23	105.83 (16)	Mg4—O5W—Cs1^viii	118.8 (3)
O3W—Cs1—O23	45.84 (16)	Mg4—O5W—Cs2^ix	42.37 (17)
O6Wⁱⁱ—Cs1—O23	69.21 (16)	Cs1^viii—O5W—Cs2^ix	98.86 (18)
O8Wⁱⁱⁱ—Cs1—O23	73.66 (16)	Mg4—O6W—Cs1^v	120.2 (3)
O2W^iv—Cs1—O23	125.51 (15)	Mg4—O6W—Cs2^ix	84.0 (2)
O10Wⁱⁱⁱ—Cs1—O23	112.81 (15)	Cs1^v—O6W—Cs2^ix	155.4 (2)
O52^v—Cs1—O23	87.67 (14)	Mg4—O6W—Cs2^xiii	135.1 (3)
O10W—Cs1—O23	51.65 (15)	Cs1^v—O6W—Cs2^xiii	104.75 (15)
O43^vi—Cs1—O23	104.71 (17)	Cs2^ix—O6W—Cs2^xiii	51.31 (9)
O11ⁱ—Cs1—O23	145.33 (16)	C1—O11—Mg4	131.9 (6)
O12ⁱ—Cs1—O23	170.81 (14)	C1—O11—Cs2^ix	126.5 (6)
O13ⁱ—Cs1—O23	155.54 (14)	Mg4—O11—Cs2^ix	94.3 (2)
O22—Cs1—O23	32.67 (13)	C1—O11—Cs1^viii	72.6 (5)
O21—Cs1—O23	32.57 (14)	Mg4—O11—Cs1^viii	98.2 (3)
O4Wⁱ—Cs1—O8W	72.94 (17)	Cs2^ix—O11—Cs1^viii	134.2 (2)
O1W—Cs1—O8W	71.44 (16)	C1—O12—Mg1^v	144.5 (7)
O5Wⁱ—Cs1—O8W	129.40 (17)	C1—O12—Mg3	92.2 (6)
O3W—Cs1—O8W	125.80 (17)	Mg1^v—O12—Mg3	123.3 (4)
O6Wⁱⁱ—Cs1—O8W	135.59 (17)	C1—O12—Cs1^viii	71.5 (5)
O8Wⁱⁱⁱ—Cs1—O8W	66.15 (18)	Mg1^v—O12—Cs1^viii	103.2 (3)
O2W^iv—Cs1—O8W	137.70 (16)	Mg3—O12—Cs1^viii	93.7 (2)
O10Wⁱⁱⁱ—Cs1—O8W	42.56 (15)	C1—O12—Cs2^ix	26.0 (5)
O52^v—Cs1—O8W	176.33 (16)	Mg1^v—O12—Cs2^ix	123.9 (3)
O10W—Cs1—O8W	42.13 (15)	Mg3—O12—Cs2^ix	109.5 (2)
O43^vi—Cs1—O8W	103.32 (18)	Cs1^viii—O12—Cs2^ix	90.21 (13)
O11ⁱ—Cs1—O8W	92.38 (15)	C1—O13—Mg3	90.8 (5)
O12ⁱ—Cs1—O8W	98.68 (15)	C1—O13—Cs1^viii	69.1 (5)
O13ⁱ—Cs1—O8W	67.61 (14)	Mg3—O13—Cs1^viii	91.7 (2)
O22—Cs1—O8W	66.01 (14)	C1—O13—Cs2^ix	72.2 (5)
O21—Cs1—O8W	96.34 (14)	Mg3—O13—Cs2^ix	150.0 (3)
O23—Cs1—O8W	90.46 (14)	Cs1^viii—O13—Cs2^ix	104.35 (14)
O42^vii—Cs2—O42^viii	96.5 (2)	Mg2—O7W—Cs2ⁱ	87.6 (3)
O42^vii—Cs2—O32^vii	115.7 (2)	Mg2—O8W—Cs1ⁱⁱⁱ	131.9 (3)
O42^viii—Cs2—O32^vii	106.4 (2)	Mg2—O8W—Cs1	114.3 (3)
O42^vii—Cs2—O22	101.4 (2)	Cs1ⁱⁱⁱ—O8W—Cs1	113.85 (18)
O42^viii—Cs2—O22	124.1 (2)	C5—O51—Mg2	93.2 (5)
O32^vii—Cs2—O22	112.10 (17)	C5—O51—Cs1	156.7 (5)
O42^vii—Cs2—O53^viii	69.5 (2)	Mg2—O51—Cs1	110.1 (2)
O42^viii—Cs2—O53^viii	62.2 (2)	C5—O51—Cs2ⁱ	44.7 (4)
O32^vii—Cs2—O53^viii	168.44 (17)	Mg2—O51—Cs2ⁱ	57.54 (17)
O22—Cs2—O53^viii	75.52 (18)	Cs1—O51—Cs2ⁱ	151.86 (15)
O42^vii—Cs2—O11^ix	168.8 (2)	C5—O51—Cs2^vii	41.9 (5)
O42^viii—Cs2—O11^ix	77.0 (2)	Mg2—O51—Cs2^vii	60.22 (17)
O32^vii—Cs2—O11^ix	58.68 (17)	Cs1—O51—Cs2^vii	153.67 (15)
O22—Cs2—O11^ix	89.88 (17)	Cs2ⁱ—O51—Cs2^vii	47.04 (6)
O53^viii—Cs2—O11^ix	114.14 (17)	C5—O52—Cs1ⁱⁱ	163.0 (6)
O42^vii—Cs2—O53^vii	61.2 (2)	C5—O52—Cs2ⁱ	56.8 (5)
O42^viii—Cs2—O53^vii	67.60 (19)	Cs1ⁱⁱ—O52—Cs2ⁱ	108.13 (17)
O32^vii—Cs2—O53^vii	73.77 (17)	C5—O52—Cs2^vii	60.2 (5)
O22—Cs2—O53^vii	161.46 (17)	Cs1ⁱⁱ—O52—Cs2^vii	104.91 (17)
O53^viii—Cs2—O53^vii	101.82 (15)	Cs2ⁱ—O52—Cs2^vii	50.61 (7)
O11^ix—Cs2—O53^vii	107.61 (17)	C4—O41—Mg2	124.5 (6)
O42^vii—Cs2—O31	67.9 (2)	C4—O41—Cs1ⁱⁱⁱ	138.8 (5)
O42^viii—Cs2—O31	163.9 (2)	Mg2—O41—Cs1ⁱⁱⁱ	96.2 (2)
O32^vii—Cs2—O31	85.09 (17)	C4—O41—Cs2ⁱ	60.1 (5)
O22—Cs2—O31	58.40 (16)	Mg2—O41—Cs2ⁱ	73.5 (2)
O53^viii—Cs2—O31	106.45 (17)	Cs1ⁱⁱⁱ—O41—Cs2ⁱ	152.17 (18)
O11^ix—Cs2—O31	119.04 (16)	C4—O41—Cs2^vii	56.7 (5)
O53^vii—Cs2—O31	106.15 (16)	Mg2—O41—Cs2^vii	71.9 (2)
O42^vii—Cs2—O2W	48.3 (2)	Cs1ⁱⁱⁱ—O41—Cs2^vii	149.07 (17)
O42^viii—Cs2—O2W	118.2 (2)	Cs2ⁱ—O41—Cs2^vii	53.02 (8)
O32^vii—Cs2—O2W	133.11 (17)	C4—O42—Cs2^vii	145.8 (8)
O22—Cs2—O2W	53.27 (17)	C4—O42—Cs2ⁱ	123.5 (7)
O53^viii—Cs2—O2W	58.31 (17)	Cs2^vii—O42—Cs2ⁱ	83.5 (2)
O11^ix—Cs2—O2W	142.97 (17)	C4—O42—Cs1^xiv	75.4 (6)
O53^vii—Cs2—O2W	109.42 (17)	Cs2^vii—O42—Cs1^xiv	116.4 (2)
O31—Cs2—O2W	48.41 (17)	Cs2ⁱ—O42—Cs1^xiv	112.2 (3)
O42^vii—Cs2—O6W^ix	120.0 (2)	C4—O43—Cs1^xiv	140.8 (7)
O42^viii—Cs2—O6W^ix	53.5 (2)	C4—O43—Cs2ⁱ	44.8 (6)
O32^vii—Cs2—O6W^ix	53.01 (17)	Cs1^xiv—O43—Cs2ⁱ	105.1 (2)
O22—Cs2—O6W^ix	138.61 (17)	C4—O43—Cs2^vii	41.1 (5)
O53^viii—Cs2—O6W^ix	115.48 (17)	Cs1^xiv—O43—Cs2^vii	102.23 (19)
O11^ix—Cs2—O6W^ix	48.78 (17)	Cs2ⁱ—O43—Cs2^vii	49.58 (9)
O53^vii—Cs2—O6W^ix	59.37 (17)	C3—O32—Mg4^xv	91.0 (6)
O31—Cs2—O6W^ix	137.44 (17)	C3—O32—Cs2^vii	141.6 (5)
O2W—Cs2—O6W^ix	167.16 (17)	Mg4^xv—O32—Cs2^vii	94.4 (2)
O42^vii—Cs2—O9W	108.9 (2)	C3—O32—Cs2	72.2 (5)
O42^viii—Cs2—O9W	148.0 (2)	Mg4^xv—O32—Cs2	152.9 (3)
O32^vii—Cs2—O9W	45.22 (16)	Cs2^vii—O32—Cs2	112.07 (17)
O22—Cs2—O9W	70.37 (17)	C3—O33—Mg3ⁱⁱ	146.5 (7)
O53^viii—Cs2—O9W	144.84 (16)	C3—O33—Mg4^xv	91.9 (6)
O11^ix—Cs2—O9W	74.59 (17)	Mg3ⁱⁱ—O33—Mg4^xv	120.1 (3)
O53^vii—Cs2—O9W	107.74 (17)	C3—O33—Cs1ⁱⁱ	129.4 (5)
O31—Cs2—O9W	47.24 (16)	Mg3ⁱⁱ—O33—Cs1ⁱⁱ	73.4 (2)
O2W—Cs2—O9W	93.49 (15)	Mg4^xv—O33—Cs1ⁱⁱ	74.3 (2)
O6W^ix—Cs2—O9W	96.06 (15)	C3—O33—Cs2^vii	50.4 (5)
O42^vii—Cs2—O7W^viii	118.1 (2)	Mg3ⁱⁱ—O33—Cs2^vii	160.5 (3)
O42^viii—Cs2—O7W^viii	67.99 (19)	Mg4^xv—O33—Cs2^vii	50.09 (17)
O32^vii—Cs2—O7W^viii	126.18 (17)	Cs1ⁱⁱ—O33—Cs2^vii	87.18 (11)
O22—Cs2—O7W^viii	56.80 (16)	Mg2—O9W—Cs2	156.6 (4)
O53^viii—Cs2—O7W^viii	49.80 (17)	Mg2—O9W—Cs2^vii	89.1 (3)
O11^ix—Cs2—O7W^viii	68.33 (16)	Cs2—O9W—Cs2^vii	114.13 (19)
O53^vii—Cs2—O7W^viii	135.04 (16)	C5—O53—Mg2	90.1 (5)
O31—Cs2—O7W^viii	114.68 (15)	C5—O53—Cs2ⁱ	136.9 (5)
O2W—Cs2—O7W^viii	85.72 (16)	Mg2—O53—Cs2ⁱ	105.0 (3)
O6W^ix—Cs2—O7W^viii	98.27 (16)	C5—O53—Cs2^vii	134.6 (5)
O9W—Cs2—O7W^viii	113.43 (18)	Mg2—O53—Cs2^vii	109.7 (3)
O42^vii—Cs2—O9W^vii	60.4 (2)	Cs2ⁱ—O53—Cs2^vii	78.18 (15)
O42^viii—Cs2—O9W^vii	114.08 (19)	Cs1ⁱⁱⁱ—O10W—Cs1	116.18 (19)
O32^vii—Cs2—O9W^vii	55.41 (16)	Cs1ⁱⁱⁱ—O10W—Cs2	112.02 (16)
O22—Cs2—O9W^vii	120.86 (16)	Cs1—O10W—Cs2	118.44 (16)
O53^viii—Cs2—O9W^vii	129.17 (16)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1A···O51	0.82 (5)	1.85 (6)	2.658 (10)	172 (12)
O1W—H1B···O43^vi	0.83 (5)	1.89 (6)	2.686 (11)	162 (12)
O2W—H2A···O52^viii	0.80 (5)	2.01 (6)	2.783 (11)	160 (12)
O2W—H2B···O42^vii	0.81 (5)	1.93 (6)	2.734 (12)	170 (13)
O3W—H3A···O52^v	0.82 (5)	2.23 (6)	2.993 (12)	157 (11)
O3W—H3B···O41ⁱⁱⁱ	0.82 (5)	1.92 (6)	2.737 (11)	175 (12)
O4W—H4A···O43^xvi	0.82 (5)	1.93 (6)	2.724 (11)	162 (13)
O4W—H4B···O51^viii	0.82 (5)	1.84 (6)	2.661 (9)	174 (14)
O5W—H5A···O52^xvii	0.82 (5)	2.04 (6)	2.853 (10)	169 (13)
O5W—H5B···O41^ix	0.80 (5)	2.05 (6)	2.831 (10)	164 (13)
O6W—H6A···O43ⁱⁱⁱ	0.84 (5)	2.21 (6)	3.021 (13)	165 (13)
O6W—H6B···O52^x	0.81 (5)	1.98 (6)	2.783 (10)	174 (13)
O7W—H7B···O23ⁱ	0.83 (5)	2.07 (7)	2.843 (10)	155 (13)
O8W—H8A···O10W	0.82 (5)	2.02 (6)	2.815 (10)	165 (13)
O8W—H8B···O10Wⁱⁱⁱ	0.82 (5)	2.02 (7)	2.815 (10)	164 (15)
O9W—H9A···O31	0.82 (5)	2.09 (7)	2.869 (10)	161 (13)
O9W—H9B···O32^vii	0.82 (5)	1.87 (7)	2.673 (10)	170 (13)
O10W—H10A···O13^ix	0.81 (5)	2.01 (6)	2.798 (9)	162 (13)
O10W—H10B···O22	0.90 (13)	1.84 (13)	2.730 (10)	169 (12)

Symmetry codes: (i) x−1, y, z; (iii) −x+2, −y+1, −z; (v) x+1/2, −y+3/2, z−1/2; (vi) −x+3/2, y+1/2, −z+1/2; (vii) −x+2, −y+1, −z+1; (viii) x+1, y, z; (ix) −x+3, −y+1, −z; (x) x+1, y, z−1; (xvi) −x+5/2, y+1/2, −z+1/2; (xvii) x+3/2, −y+3/2, z−1/2.

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