Rubidium dimolybdate, Rb₂Mo₂O₇, and caesium dimolybdate, Cs₂Mo₂O₇

The crystal structures of dirubidium hepta­oxodimolybdate, Rb₂Mo₂O₇, and dicaesium hepta­oxodimolybdate, Cs₂Mo₂O₇, in the space groups Ama2 and P2₁/c, respectively, have been determined for the first time by single-crystal X-ray diffraction. The structures represent two novel structure types of monovalent ion dimolybdates, A₂Mo₂O₇ (A = alkaline elements, NH₄, Ag or Tl). In the structure of Rb₂Mo₂O₇, Mo atoms are on a twofold axis, on a mirror plane and in a general position. One of the Rb atoms lies on a twofold axis, while three others are on mirror planes. Two O atoms attached to the Mo atom on a mirror plane are located on the same plane. Rubidium dimolybdate contains a new kind of infinite Mo–O chain formed from linked MoO₄ tetra­hedra and MoO₆ octa­hedra alternating along the a axis, with two terminal MoO₄ tetra­hedra sharing corners with each octa­hedron. The chains stack in the [001] direction to form channels of an approximately square section filled by ten-coordinate Rb ions. Seven- and eight-coordinate Rb atoms are located between chains connected by a c translation. In the structure of Cs₂Mo₂O₇, all atoms are in general positions. The MoO₆ octa­hedra share opposite corners to form separate infinite chains running along the c axis and strengthened by bridging MoO₄ tetra­hedra. The same Mo–O polyhedral chain occurs in the structure of Na₂Mo₂O₇. Eight- to eleven-coordinate Cs atoms fill the space between the chains. The atomic arrangement of caesium dimolybdate has an ortho­rhom­bic pseudosymmetry that suggests a possible phase transition P2₁/c→Pbca at elevated temperatures.

S1. Comment

Dimolybdates of univalent ions formed in the systems A₂MoO₄–MoO₃ (A = alkaline metals, NH₄, Ag or Tl) have been known for a long time and are mainly used as good low-melting fluxes for the crystallization of many oxide materials. The structures of the dimolybdates studied to date, Na₂Mo₂O₇ (Lindqvist, 1950a,b; Seleborg, 1967), K₂Mo₂O₇ (Magarill & Klevtsova, 1971), (NH₄)₂Mo₂O₇ (Lindqvist, 1950b; Knopnadel et al., 1974; Armour et al., 1975) and Ag₂Mo₂O₇ (Gatehouse & Leverett, 1976; Guo & Liu, 2005), contain infinite chains of MoO₆ octahedra and MoO₄ tetrahedra linked by corners or edges (Fig. 1). In contrast, in the structure of MgMo₂O₇ (Stadnicka et al., 1977), there are separate dimolybdate ions, Mo₂O₇²⁻, consisting of two MoO₄ tetrahedra sharing a corner. Although rubidium and caesium dimolybdates are well known in the literature (Spitsyn & Kuleshov, 1951; Salmon & Caillet, 1969; Hoekstra, 1973; Goel & Mehrotra, 1985, 1986; Bazarova et al., 1990), their lattice dimensions and crystal structures have not previously been determined. The present crystal structure study of Rb₂Mo₂O₇, (I), and Cs₂Mo₂O₇, (II), closes a gap in the crystal chemistry of univalent ion dimolybdates and confirms their compositions found chemically.

We have obtained single crystals of (I) and (II) in our study of complex molybdates. Powder diffraction patterns of the compounds were consistent with X-ray diffration data for samples of Rb₂Mo₂O₇ (Goel & Mehrotra, 1986; PDF No. 40–955) and Cs₂Mo₂O₇ (Goel & Mehrotra, 1985; PDF No. 39–60) prepared by the thermal decomposition of molybdenum(VI) oxalate complexes, A₂[Mo₂O₅(C₂O₄)₂(H₂O)₂] (A = Rb or Cs) and Cs₂[Mo₂O₆(C₂O₄)]·H₂O. Both the cell parameters and the space groups of (I) and (II) indicate that these compounds are not isostructural with other univalent cation dimolybdates. Our preliminary communication (Solodovnikova & Solodovnikov, 2002) on the synthesis and the crystal structure of (I) was presented at the All-Russian Scientific Conference devoted to the memory of Professor M. V. Mokhosoev (Ulan-Ude, Russia).

In the structure of (I), atoms Mo1, Mo2 and Mo3 are on a twofold axis, on a mirror plane and in a general position, respectively. Atom Mo1 possesses a distorted octahedral environment, whereas atoms Mo2 and Mo3 have tetrahedral coordinations. Rb atoms occupy special positions on twofold axes (Rb1) and mirror planes (Rb2, Rb3 and Rb4), and have coordination numbers of 8, 7, 10 and 10, respectively. The common arrangement of Mo and Rb atoms in the structure of (I) corresponds to cubic close packing somewhat compressed along the [001] direction.

The main and most original detail of the structure is an infinite polyhedral chain running along the a axis and formed of linked alternate Mo1O₄ octahedra and Mo2O₆ tetrahedra, with two terminal Mo3O₄ tetrahedra sharing the corners with each Mo1O₆ octahedron (Fig. 1d). The chain has a polar configuration, due to the bridging Mo2O₄ tetrahedra linked to four adjacent corners of the Mo1O₆ octahedron (Fig. 2a). The chains are stacked in the [001] direction in such a way that the projections of the terminal Mo3O₄ tetrahedra of adjacent chains connected by an a translation are superimposed. This results in the formation of channels of an approximately square section parallel to [001], each filled by half of an Rb ion located on the mirror plane (Fig. 2b). Other Rb atoms are located in between chains connected by a c translation and lie on twofold axes and mirror planes.

All atoms in the structure of (II) are in general positions. Atoms Mo1 and Mo3 have a distorted octahedral coordination and atoms Mo2 and Mo4 are tetrahedrally coordinated. MoO₆ octahedra share opposite corners to form separate infinite chains running along the c axis and strengthened by bridging MoO₄ tetrahedra. As in the structure of (I), the chains have polar configurations because of the MoO₄ tetrahedra attached to two adjacent corners of the MoO₆ octahedra (Fig. 3a). Each chain resembles the Mo–O polyhedral radical occurring in the structure of Na₂Mo₂O₇ (Fig. 1a). There are two symmetrically independent but topologically analogous chains involving Mo1O₆ octahedra and Mo2O₄ tetrahedra, and Mo3O₆ octahedra and Mo4O₄ tetrahedra, respectively (Fig. 3). Atoms Cs1, Cs2, Cs3 and Cs4 have coordination numbers of 11, 9, 8, and 10, respectively, and occupy the space between the chains. Thus, our results have confirmed the previously stated assumption of a chain character for the structure of (II) (Gatehouse & Leverett, 1976).

Caesium dimolybdate has a highly pseudosymmetrical structure, which is rather close to an orthorhombic one. For example, the β angle is practically equal to 90°, which explains the intensive pseudomerohedral twinning of the crystals. Moreover, two kinds of chains in the structure are connected to each other by additional pseudosymmetry elements, such as b-glide planes perpendicular to the x axis and a-glide planes perpendicular to the z axis (Fig. 3). The same pseudosymmetry elements connect atoms Cs1 and Cs3 with atoms Cs2 and Cs4, respectively. This implies that the monoclinic phase of (II) (space group P2₁/c) could transform to the orthorhombic form (space group Pbca) at elevated temperatures. Indeed, Hoekstra (1973) has observed a polymorphic transition in (II) at 668 K. A weak thermal effect of the transition would mean a distortive nature of the structural transformation, which agrees with our conclusion. The structural mechanism of the transition appears to be associated with slight shifts and rotations of the MoO₆ octahedra and MoO₄ tetrahedra in the Mo–O chains. If these considerations are correct, caesium dimolybdate could show ferroelastic or antiferroelectric properties at room temperature. Corresponding investigations of this compound will be conducted in the near future.

In conclusion, it is worth emphasizing that both title structures contain infinite polyhedral Mo–O chains formed by MoO₆ octahedra and MoO₄ tetrahedra sharing corners. Thus, our work completes the study of the structures of univalent cation dimolybdates, confirming a common chain-like character of the series (Fig. 1).

S2. Experimental

Due to their congruent melting at 763 K (Salmon & Caillet, 1969) and 737 K (Hoekstra, 1973), respectively, crystals of (I) and (II) were grown from the melts of equimolar mixtures of A₂MoO₄ (A = Rb or Cs) and MoO₃. The mixtures were heated to 823 K (A = Rb) and 693 K (A = Cs), held at that temperature for 24 h and then cooled to 703 K (A = Rb) and 673 K (A = Cs) at a rates of 3 K h⁻¹. The crystals appeared as matted white fragments and colourless elongated plates, with maximum dimensions of 2 mm.

S3. Refinement

The refinement of the structure of (II) was performed taking into account the pseudomerohedral twinning of the crystal studied. The monoclinic cell of the single-crystal can be transformed into a pseudo-orthorhombic cell with a twofold twin operation about the reciprocal a* axis of the monoclinic cell. The twin fraction was refined to a value of 0.4946 (6).

Computing details

For both compounds, data collection: SMART (Bruker, 2004); cell refinement: SMART; data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: BS (Ozawa & Kang, 2004); software used to prepare material for publication: SHELXL97.

Figures

	Fig. 1. Polyhedral representations of the Mo–O chains in the structures of (a) Na2Mo2O7 and Cs2Mo2O7, (b) K2Mo2O7 and (NH4)2Mo2O7, (c) two forms of Ag2Mo2O7 and (d) Rb2Mo2O7.
	Fig. 2. Projections of the Rb2Mo2O7 structure onto (a) the (010) plane and (b) the (001) plane.
	Fig. 3. Projections of the Cs2Mo2O7 structure onto (a) the (001) plane and (b) the (100) plane.

(I) dirubidium heptaoxodimolybdate

Crystal data

Rb2Mo2O7	F(000) = 1712
Mr = 474.82	Dx = 4.036 Mg m^−3
Orthorhombic, Ama2	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: A 2 -2a	Cell parameters from 3812 reflections
a = 11.8887 (6) Å	θ = 3.1–27.5°
b = 12.8303 (6) Å	µ = 15.57 mm^−1
c = 10.2464 (4) Å	T = 293 K
V = 1562.94 (12) Å^3	Fragment, colourless
Z = 8	0.06 × 0.06 × 0.06 mm

Data collection

Bruker Nonius X8 APEX CCD area-detector diffractometer	1454 independent reflections
Radiation source: fine-focus sealed X-ray tube	1416 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.022
ϕ scans, frame data integration	θmax = 27.5°, θmin = 2.5°
Absorption correction: multi-scan (SADABS; Bruker, 2004)	h = −15→15
Tmin = 0.455, Tmax = 0.455	k = −15→16
4744 measured reflections	l = −13→7

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)] = 0.018	w = 1/[σ^2(Fo^2) + (0.0203P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.049	(Δ/σ)max < 0.001
S = 1.15	Δρmax = 0.70 e Å^−3
1454 reflections	Δρmin = −0.60 e Å^−3
110 parameters	Absolute structure: Flack (1983), with how many Friedel pairs?
0 restraints	Absolute structure parameter: 0.019 (6)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

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

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

	x	y	z	Uiso*/Ueq
Rb1	0.0000	0.5000	0.5000	0.0237 (2)
Rb2	0.2500	0.48386 (5)	−0.26390 (11)	0.01891 (17)
Rb3	0.2500	0.21144 (6)	0.49330 (11)	0.02700 (18)
Rb4	0.2500	0.25540 (7)	−0.02260 (13)	0.0378 (2)
Mo1	0.0000	0.5000	0.06117 (13)	0.01268 (15)
Mo2	0.2500	0.47105 (5)	0.28712 (12)	0.01558 (14)
Mo3	0.01169 (3)	0.25276 (4)	0.22891 (13)	0.01681 (11)
O1	0.1103 (3)	0.5171 (3)	−0.0426 (4)	0.0277 (9)
O2	0.0319 (3)	0.3571 (2)	0.1036 (4)	0.0187 (7)
O3	0.1236 (3)	0.5306 (3)	0.2280 (4)	0.0243 (8)
O4	0.2500	0.3413 (4)	0.2440 (6)	0.0275 (11)
O5	0.2500	0.4846 (5)	0.4559 (6)	0.0326 (14)
O6	−0.1241 (3)	0.2050 (3)	0.2201 (4)	0.0340 (10)
O7	0.1013 (3)	0.1507 (3)	0.1898 (4)	0.0294 (9)
O8	0.0325 (3)	0.2957 (3)	0.3879 (4)	0.0292 (9)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Rb1	0.0188 (4)	0.0240 (4)	0.0283 (5)	−0.0010 (3)	0.000	0.000
Rb2	0.0217 (4)	0.0170 (3)	0.0181 (4)	0.000	0.000	−0.0004 (3)
Rb3	0.0264 (4)	0.0240 (4)	0.0305 (4)	0.000	0.000	−0.0003 (4)
Rb4	0.0406 (7)	0.0475 (6)	0.0252 (5)	0.000	0.000	0.0026 (4)
Mo1	0.0134 (3)	0.0112 (3)	0.0135 (4)	−0.0008 (2)	0.000	0.000
Mo2	0.0116 (3)	0.0217 (3)	0.0135 (3)	0.000	0.000	−0.0006 (3)
Mo3	0.01570 (19)	0.0145 (2)	0.0202 (2)	−0.00137 (15)	−0.0004 (2)	0.00216 (17)
O1	0.031 (2)	0.027 (2)	0.026 (2)	−0.0015 (17)	0.0133 (18)	0.0019 (15)
O2	0.0213 (17)	0.0126 (16)	0.0222 (19)	0.0006 (13)	−0.0002 (15)	−0.0004 (15)
O3	0.0218 (18)	0.0240 (19)	0.027 (2)	0.0031 (15)	−0.0071 (17)	−0.0037 (17)
O4	0.022 (2)	0.020 (3)	0.041 (3)	0.000	0.000	0.003 (2)
O5	0.020 (3)	0.059 (4)	0.020 (3)	0.000	0.000	−0.006 (2)
O6	0.0235 (19)	0.032 (2)	0.047 (3)	−0.0114 (16)	−0.003 (2)	0.011 (2)
O7	0.034 (2)	0.0166 (19)	0.038 (2)	0.0083 (16)	−0.0030 (18)	0.0011 (16)
O8	0.036 (2)	0.026 (2)	0.026 (2)	0.0013 (18)	0.0023 (18)	0.0022 (18)

Geometric parameters (Å, º)

Rb1—O8^i	2.888 (4)	Rb4—O2^viii	3.178 (3)
Rb1—O8	2.888 (4)	Rb4—O2	3.178 (3)
Rb1—O7^ii	2.995 (4)	Rb4—O5^xvi	3.482 (6)
Rb1—O7^iii	2.995 (4)	Rb4—O8^ix	3.543 (4)
Rb1—O5^i	3.0128 (10)	Rb4—O8^x	3.543 (4)
Rb1—O5	3.0128 (10)	Rb4—Mo3^viii	3.8301 (8)
Rb1—O3^i	3.176 (4)	Rb4—Mo3	3.8301 (8)
Rb1—O3	3.176 (4)	Mo1—O1^i	1.702 (4)
Rb1—Mo2^i	3.7054 (7)	Mo1—O1	1.702 (4)
Rb1—Mo2	3.7054 (7)	Mo1—O2^i	1.922 (3)
Rb1—Rb2^iv	3.8379 (7)	Mo1—O2	1.922 (3)
Rb1—Rb2^v	3.8379 (7)	Mo1—O3	2.288 (4)
Rb2—O7^vi	2.816 (4)	Mo1—O3^i	2.288 (4)
Rb2—O7^vii	2.816 (4)	Mo1—Rb3^vii	4.0837 (6)
Rb2—O1^viii	2.843 (4)	Mo1—Rb3^ix	4.0837 (6)
Rb2—O1	2.843 (4)	Mo2—O4	1.723 (5)
Rb2—O6^ix	2.853 (4)	Mo2—O5	1.738 (6)
Rb2—O6^x	2.853 (4)	Mo2—O3	1.791 (4)
Rb2—O5^xi	2.871 (6)	Mo2—O3^viii	1.791 (4)
Rb2—Rb4	3.8347 (12)	Mo2—Rb1^xvii	3.7054 (7)
Rb2—Rb1^xi	3.8379 (7)	Mo2—Rb4^ii	4.1367 (11)
Rb2—Rb1^xii	3.8379 (7)	Mo2—Rb3^vii	4.3100 (10)
Rb2—Rb3^vii	3.9333 (12)	Mo3—O6	1.729 (4)
Rb2—Rb3^xi	4.2903 (12)	Mo3—O7	1.736 (4)
Rb3—O6^xiii	2.964 (4)	Mo3—O8	1.738 (4)
Rb3—O6^iii	2.964 (4)	Mo3—O2	1.870 (3)
Rb3—O8	3.003 (4)	Mo3—Rb3^ix	3.9646 (7)
Rb3—O8^viii	3.003 (4)	Mo3—Rb1^xvi	4.0047 (9)
Rb3—O1^xiv	3.018 (4)	Mo3—Rb4^iii	4.0216 (7)
Rb3—O1^xv	3.018 (4)	Mo3—Rb2^iii	4.3475 (7)
Rb3—O4	3.050 (6)	O1—Rb3^vii	3.018 (4)
Rb3—O5	3.525 (6)	O2—Rb3^ix	3.644 (3)
Rb3—O2^xiii	3.644 (3)	O5—Rb2^iv	2.871 (6)
Rb3—O2^iii	3.644 (3)	O5—Rb1^xvii	3.0128 (9)
Rb3—Rb2^xiv	3.9333 (12)	O5—Rb4^ii	3.482 (6)
Rb3—Mo2	3.9444 (10)	O6—Rb2^iii	2.853 (4)
Rb4—O4	2.945 (6)	O6—Rb3^ix	2.964 (4)
Rb4—O6^ix	3.074 (4)	O6—Rb4^iii	3.074 (4)
Rb4—O6^x	3.074 (4)	O7—Rb2^xiv	2.816 (4)
Rb4—O7^viii	3.109 (4)	O7—Rb1^xvi	2.995 (4)
Rb4—O7	3.109 (4)	O8—Rb4^iii	3.543 (4)
O8^i—Rb1—O8	133.14 (16)	O6^ix—Rb4—O5^xvi	96.35 (11)
O8^i—Rb1—O7^ii	74.11 (10)	O6^x—Rb4—O5^xvi	96.35 (11)
O8—Rb1—O7^ii	142.20 (10)	O7^viii—Rb4—O5^xvi	67.22 (10)
O8^i—Rb1—O7^iii	142.20 (10)	O7—Rb4—O5^xvi	67.22 (10)
O8—Rb1—O7^iii	74.11 (10)	O2^viii—Rb4—O5^xvi	115.82 (7)
O7^ii—Rb1—O7^iii	99.03 (15)	O2—Rb4—O5^xvi	115.82 (7)
O8^i—Rb1—O5^i	75.44 (14)	O4—Rb4—O8^ix	108.01 (6)
O8—Rb1—O5^i	97.60 (15)	O6^ix—Rb4—O8^ix	49.24 (9)
O7^ii—Rb1—O5^i	116.86 (14)	O6^x—Rb4—O8^ix	105.68 (10)
O7^iii—Rb1—O5^i	75.10 (13)	O7^viii—Rb4—O8^ix	129.80 (9)
O8^i—Rb1—O5	97.60 (15)	O7—Rb4—O8^ix	64.03 (9)
O8—Rb1—O5	75.44 (14)	O2^viii—Rb4—O8^ix	162.72 (9)
O7^ii—Rb1—O5	75.10 (13)	O2—Rb4—O8^ix	53.68 (8)
O7^iii—Rb1—O5	116.86 (14)	O5^xvi—Rb4—O8^ix	78.40 (7)
O5^i—Rb1—O5	162.7 (2)	O4—Rb4—O8^x	108.01 (6)
O8^i—Rb1—O3^i	72.62 (10)	O6^ix—Rb4—O8^x	105.68 (10)
O8—Rb1—O3^i	66.46 (10)	O6^x—Rb4—O8^x	49.24 (9)
O7^ii—Rb1—O3^i	146.72 (10)	O7^viii—Rb4—O8^x	64.03 (9)
O7^iii—Rb1—O3^i	107.68 (10)	O7—Rb4—O8^x	129.80 (9)
O5^i—Rb1—O3^i	54.54 (13)	O2^viii—Rb4—O8^x	53.68 (8)
O5—Rb1—O3^i	108.47 (13)	O2—Rb4—O8^x	162.72 (9)
O8^i—Rb1—O3	66.46 (10)	O5^xvi—Rb4—O8^x	78.40 (7)
O8—Rb1—O3	72.62 (10)	O8^ix—Rb4—O8^x	142.90 (13)
O7^ii—Rb1—O3	107.68 (10)	O4—Rb4—Mo3^viii	51.63 (3)
O7^iii—Rb1—O3	146.72 (10)	O6^ix—Rb4—Mo3^viii	159.84 (7)
O5^i—Rb1—O3	108.47 (13)	O6^x—Rb4—Mo3^viii	102.62 (7)
O5—Rb1—O3	54.54 (13)	O7^viii—Rb4—Mo3^viii	26.45 (6)
O3^i—Rb1—O3	57.26 (13)	O7—Rb4—Mo3^viii	86.89 (7)
O8^i—Rb1—Mo2^i	64.37 (8)	O2^viii—Rb4—Mo3^viii	29.10 (6)
O8—Rb1—Mo2^i	87.96 (8)	O2—Rb4—Mo3^viii	109.47 (7)
O7^ii—Rb1—Mo2^i	129.81 (7)	O5^xvi—Rb4—Mo3^viii	91.93 (7)
O7^iii—Rb1—Mo2^i	97.13 (8)	O8^ix—Rb4—Mo3^viii	150.90 (7)
O5^i—Rb1—Mo2^i	27.60 (11)	O8^x—Rb4—Mo3^viii	58.07 (6)
O5—Rb1—Mo2^i	135.20 (12)	O4—Rb4—Mo3	51.63 (3)
O3^i—Rb1—Mo2^i	28.88 (7)	O6^ix—Rb4—Mo3	102.62 (7)
O3—Rb1—Mo2^i	80.92 (7)	O6^x—Rb4—Mo3	159.84 (7)
O8^i—Rb1—Mo2	87.96 (8)	O7^viii—Rb4—Mo3	86.89 (7)
O8—Rb1—Mo2	64.37 (8)	O7—Rb4—Mo3	26.45 (6)
O7^ii—Rb1—Mo2	97.13 (8)	O2^viii—Rb4—Mo3	109.47 (7)
O7^iii—Rb1—Mo2	129.81 (7)	O2—Rb4—Mo3	29.10 (6)
O5^i—Rb1—Mo2	135.20 (12)	O5^xvi—Rb4—Mo3	91.93 (7)
O5—Rb1—Mo2	27.60 (11)	O8^ix—Rb4—Mo3	58.07 (6)
O3^i—Rb1—Mo2	80.92 (7)	O8^x—Rb4—Mo3	150.90 (7)
O3—Rb1—Mo2	28.88 (7)	Mo3^viii—Rb4—Mo3	95.42 (2)
Mo2^i—Rb1—Mo2	107.87 (3)	O1^i—Mo1—O1	102.7 (3)
O8^i—Rb1—Rb2^iv	113.79 (8)	O1^i—Mo1—O2^i	96.46 (16)
O8—Rb1—Rb2^iv	95.62 (8)	O1—Mo1—O2^i	99.80 (16)
O7^ii—Rb1—Rb2^iv	46.69 (7)	O1^i—Mo1—O2	99.80 (16)
O7^iii—Rb1—Rb2^iv	82.39 (8)	O1—Mo1—O2	96.46 (16)
O5^i—Rb1—Rb2^iv	149.55 (11)	O2^i—Mo1—O2	153.8 (2)
O5—Rb1—Rb2^iv	47.70 (11)	O1^i—Mo1—O3	169.55 (19)
O3^i—Rb1—Rb2^iv	154.83 (7)	O1—Mo1—O3	87.10 (17)
O3—Rb1—Rb2^iv	101.62 (7)	O2^i—Mo1—O3	78.09 (14)
Mo2^i—Rb1—Rb2^iv	176.09 (2)	O2—Mo1—O3	82.42 (14)
Mo2—Rb1—Rb2^iv	75.195 (15)	O1^i—Mo1—O3^i	87.10 (17)
O8^i—Rb1—Rb2^v	95.62 (8)	O1—Mo1—O3^i	169.55 (19)
O8—Rb1—Rb2^v	113.79 (8)	O2^i—Mo1—O3^i	82.42 (14)
O7^ii—Rb1—Rb2^v	82.39 (8)	O2—Mo1—O3^i	78.09 (14)
O7^iii—Rb1—Rb2^v	46.69 (7)	O3—Mo1—O3^i	83.4 (2)
O5^i—Rb1—Rb2^v	47.70 (11)	O1^i—Mo1—Rb3^vii	122.68 (15)
O5—Rb1—Rb2^v	149.55 (11)	O1—Mo1—Rb3^vii	41.17 (14)
O3^i—Rb1—Rb2^v	101.62 (7)	O2^i—Mo1—Rb3^vii	63.15 (10)
O3—Rb1—Rb2^v	154.83 (7)	O2—Mo1—Rb3^vii	121.92 (10)
Mo2^i—Rb1—Rb2^v	75.195 (15)	O3—Mo1—Rb3^vii	62.97 (10)
Mo2—Rb1—Rb2^v	176.09 (2)	O3^i—Mo1—Rb3^vii	135.14 (10)
Rb2^iv—Rb1—Rb2^v	101.85 (3)	O1^i—Mo1—Rb3^ix	41.17 (14)
O7^vi—Rb2—O7^vii	77.76 (16)	O1—Mo1—Rb3^ix	122.68 (15)
O7^vi—Rb2—O1^viii	69.74 (11)	O2^i—Mo1—Rb3^ix	121.92 (10)
O7^vii—Rb2—O1^viii	112.78 (11)	O2—Mo1—Rb3^ix	63.15 (10)
O7^vi—Rb2—O1	112.78 (11)	O3—Mo1—Rb3^ix	135.14 (10)
O7^vii—Rb2—O1	69.74 (11)	O3^i—Mo1—Rb3^ix	62.97 (10)
O1^viii—Rb2—O1	71.49 (18)	Rb3^vii—Mo1—Rb3^ix	160.39 (3)
O7^vi—Rb2—O6^ix	164.82 (12)	O4—Mo2—O5	110.6 (3)
O7^vii—Rb2—O6^ix	107.85 (11)	O4—Mo2—O3	109.02 (15)
O1^viii—Rb2—O6^ix	118.68 (12)	O5—Mo2—O3	107.10 (17)
O1—Rb2—O6^ix	82.35 (12)	O4—Mo2—O3^viii	109.02 (15)
O7^vi—Rb2—O6^x	107.85 (11)	O5—Mo2—O3^viii	107.10 (17)
O7^vii—Rb2—O6^x	164.82 (12)	O3—Mo2—O3^viii	114.0 (3)
O1^viii—Rb2—O6^x	82.35 (12)	O4—Mo2—Rb1^xvii	104.35 (11)
O1—Rb2—O6^x	118.68 (12)	O5—Mo2—Rb1^xvii	53.434 (19)
O6^ix—Rb2—O6^x	63.28 (15)	O3—Mo2—Rb1^xvii	146.00 (12)
O7^vi—Rb2—O5^xi	80.15 (12)	O3^viii—Mo2—Rb1^xvii	58.91 (14)
O7^vii—Rb2—O5^xi	80.15 (12)	O4—Mo2—Rb1	104.35 (11)
O1^viii—Rb2—O5^xi	142.86 (9)	O5—Mo2—Rb1	53.434 (19)
O1—Rb2—O5^xi	142.86 (9)	O3—Mo2—Rb1	58.91 (14)
O6^ix—Rb2—O5^xi	86.85 (14)	O3^viii—Mo2—Rb1	146.00 (12)
O6^x—Rb2—O5^xi	86.85 (14)	Rb1^xvii—Mo2—Rb1	106.67 (3)
O7^vi—Rb2—Rb4	133.60 (8)	O4—Mo2—Rb3	47.2 (2)
O7^vii—Rb2—Rb4	133.60 (8)	O5—Mo2—Rb3	63.3 (2)
O1^viii—Rb2—Rb4	66.45 (7)	O3—Mo2—Rb3	122.80 (12)
O1—Rb2—Rb4	66.45 (7)	O3^viii—Mo2—Rb3	122.80 (12)
O6^ix—Rb2—Rb4	52.26 (9)	Rb1^xvii—Mo2—Rb3	76.665 (15)
O6^x—Rb2—Rb4	52.26 (9)	Rb1—Mo2—Rb3	76.665 (15)
O5^xi—Rb2—Rb4	130.33 (13)	O4—Mo2—Rb4^ii	166.7 (2)
O7^vi—Rb2—Rb1^xi	109.80 (8)	O5—Mo2—Rb4^ii	56.2 (2)
O7^vii—Rb2—Rb1^xi	50.70 (8)	O3—Mo2—Rb4^ii	77.46 (12)
O1^viii—Rb2—Rb1^xi	161.28 (9)	O3^viii—Mo2—Rb4^ii	77.46 (12)
O1—Rb2—Rb1^xi	92.42 (9)	Rb1^xvii—Mo2—Rb4^ii	68.538 (13)
O6^ix—Rb2—Rb1^xi	66.62 (8)	Rb1—Mo2—Rb4^ii	68.538 (13)
O6^x—Rb2—Rb1^xi	114.57 (8)	Rb3—Mo2—Rb4^ii	119.49 (3)
O5^xi—Rb2—Rb1^xi	50.912 (16)	O4—Mo2—Rb4	34.05 (19)
Rb4—Rb2—Rb1^xi	116.594 (16)	O5—Mo2—Rb4	144.6 (2)
O7^vi—Rb2—Rb1^xii	50.70 (8)	O3—Mo2—Rb4	91.46 (13)
O7^vii—Rb2—Rb1^xii	109.80 (8)	O3^viii—Mo2—Rb4	91.46 (13)
O1^viii—Rb2—Rb1^xii	92.42 (9)	Rb1^xvii—Mo2—Rb4	120.637 (13)
O1—Rb2—Rb1^xii	161.28 (9)	Rb1—Mo2—Rb4	120.637 (13)
O6^ix—Rb2—Rb1^xii	114.57 (8)	Rb3—Mo2—Rb4	81.30 (2)
O6^x—Rb2—Rb1^xii	66.62 (8)	Rb4^ii—Mo2—Rb4	159.21 (3)
O5^xi—Rb2—Rb1^xii	50.912 (16)	O4—Mo2—Rb3^vii	120.83 (19)
Rb4—Rb2—Rb1^xii	116.594 (16)	O5—Mo2—Rb3^vii	128.6 (2)
Rb1^xi—Rb2—Rb1^xii	101.51 (3)	O3—Mo2—Rb3^vii	57.20 (13)
O7^vi—Rb2—Rb3^vii	63.18 (8)	O3^viii—Mo2—Rb3^vii	57.20 (13)
O7^vii—Rb2—Rb3^vii	63.18 (8)	Rb1^xvii—Mo2—Rb3^vii	109.844 (16)
O1^viii—Rb2—Rb3^vii	49.77 (8)	Rb1—Mo2—Rb3^vii	109.844 (16)
O1—Rb2—Rb3^vii	49.77 (8)	Rb3—Mo2—Rb3^vii	168.08 (3)
O6^ix—Rb2—Rb3^vii	132.00 (8)	Rb4^ii—Mo2—Rb3^vii	72.428 (18)
O6^x—Rb2—Rb3^vii	132.00 (8)	Rb4—Mo2—Rb3^vii	86.78 (2)
O5^xi—Rb2—Rb3^vii	131.89 (13)	O6—Mo3—O7	107.08 (18)
Rb4—Rb2—Rb3^vii	97.78 (3)	O6—Mo3—O8	107.1 (2)
Rb1^xi—Rb2—Rb3^vii	112.476 (14)	O7—Mo3—O8	111.62 (19)
Rb1^xii—Rb2—Rb3^vii	112.476 (14)	O6—Mo3—O2	109.72 (16)
O7^vi—Rb2—Rb3^xi	121.42 (8)	O7—Mo3—O2	107.63 (17)
O7^vii—Rb2—Rb3^xi	121.42 (8)	O8—Mo3—O2	113.47 (16)
O1^viii—Rb2—Rb3^xi	125.79 (8)	O6—Mo3—Rb4	131.19 (14)
O1—Rb2—Rb3^xi	125.79 (8)	O7—Mo3—Rb4	52.91 (13)
O6^ix—Rb2—Rb3^xi	43.50 (8)	O8—Mo3—Rb4	121.50 (14)
O6^x—Rb2—Rb3^xi	43.50 (8)	O2—Mo3—Rb4	55.73 (10)
O5^xi—Rb2—Rb3^xi	54.74 (12)	O6—Mo3—Rb3	131.09 (13)
Rb4—Rb2—Rb3^xi	75.59 (2)	O7—Mo3—Rb3	67.50 (13)
Rb1^xi—Rb2—Rb3^xi	71.242 (14)	O8—Mo3—Rb3	45.43 (14)
Rb1^xii—Rb2—Rb3^xi	71.242 (14)	O2—Mo3—Rb3	118.30 (10)
Rb3^vii—Rb2—Rb3^xi	173.37 (3)	Rb4—Mo3—Rb3	86.109 (14)
O6^xiii—Rb3—O6^iii	60.65 (14)	O6—Mo3—Rb3^ix	43.65 (13)
O6^xiii—Rb3—O8	125.89 (10)	O7—Mo3—Rb3^ix	115.38 (13)
O6^iii—Rb3—O8	73.56 (11)	O8—Mo3—Rb3^ix	130.25 (14)
O6^xiii—Rb3—O8^viii	73.56 (11)	O2—Mo3—Rb3^ix	66.41 (10)
O6^iii—Rb3—O8^viii	125.89 (11)	Rb4—Mo3—Rb3^ix	99.77 (2)
O8—Rb3—O8^viii	118.83 (15)	Rb3—Mo3—Rb3^ix	174.05 (2)
O6^xiii—Rb3—O1^xiv	132.22 (11)	O6—Mo3—Rb1^xvi	69.51 (14)
O6^iii—Rb3—O1^xiv	96.67 (10)	O7—Mo3—Rb1^xvi	43.51 (13)
O8—Rb3—O1^xiv	77.28 (11)	O8—Mo3—Rb1^xvi	144.18 (13)
O8^viii—Rb3—O1^xiv	136.67 (11)	O2—Mo3—Rb1^xvi	100.50 (10)
O6^xiii—Rb3—O1^xv	96.67 (10)	Rb4—Mo3—Rb1^xvi	68.824 (19)
O6^iii—Rb3—O1^xv	132.22 (11)	Rb3—Mo3—Rb1^xvi	108.507 (18)
O8—Rb3—O1^xv	136.67 (11)	Rb3^ix—Mo3—Rb1^xvi	73.140 (17)
O8^viii—Rb3—O1^xv	77.28 (11)	O6—Mo3—Rb4^iii	45.71 (14)
O1^xiv—Rb3—O1^xv	66.78 (15)	O7—Mo3—Rb4^iii	126.99 (13)
O6^xiii—Rb3—O4	117.32 (12)	O8—Mo3—Rb4^iii	61.64 (14)
O6^iii—Rb3—O4	117.32 (12)	O2—Mo3—Rb4^iii	123.54 (10)
O8—Rb3—O4	60.15 (8)	Rb4—Mo3—Rb4^iii	176.85 (2)
O8^viii—Rb3—O4	60.15 (8)	Rb3—Mo3—Rb4^iii	96.72 (2)
O1^xiv—Rb3—O4	110.44 (12)	Rb3^ix—Mo3—Rb4^iii	77.378 (13)
O1^xv—Rb3—O4	110.44 (12)	Rb1^xvi—Mo3—Rb4^iii	108.838 (17)
O6^xiii—Rb3—O5	74.08 (11)	O6—Mo3—Rb1	105.68 (14)
O6^iii—Rb3—O5	74.08 (11)	O7—Mo3—Rb1	137.72 (13)
O8—Rb3—O5	66.61 (8)	O8—Mo3—Rb1	31.67 (13)
O8^viii—Rb3—O5	66.61 (8)	O2—Mo3—Rb1	85.29 (10)
O1^xiv—Rb3—O5	143.89 (9)	Rb4—Mo3—Rb1	117.433 (19)
O1^xv—Rb3—O5	143.89 (9)	Rb3—Mo3—Rb1	70.939 (17)
O4—Rb3—O5	50.65 (14)	Rb3^ix—Mo3—Rb1	106.737 (15)
O6^xiii—Rb3—O2^xiii	51.67 (9)	Rb1^xvi—Mo3—Rb1	173.41 (3)
O6^iii—Rb3—O2^xiii	107.96 (9)	Rb4^iii—Mo3—Rb1	64.991 (16)
O8—Rb3—O2^xiii	171.90 (9)	O6—Mo3—Rb2^iii	23.85 (13)
O8^viii—Rb3—O2^xiii	53.62 (9)	O7—Mo3—Rb2^iii	85.20 (13)
O1^xiv—Rb3—O2^xiii	110.15 (9)	O8—Mo3—Rb2^iii	107.92 (13)
O1^xv—Rb3—O2^xiii	48.12 (9)	O2—Mo3—Rb2^iii	127.11 (10)
O4—Rb3—O2^xiii	113.06 (6)	Rb4—Mo3—Rb2^iii	123.16 (2)
O5—Rb3—O2^xiii	105.88 (6)	Rb3—Mo3—Rb2^iii	114.04 (2)
O6^xiii—Rb3—O2^iii	107.96 (9)	Rb3^ix—Mo3—Rb2^iii	61.945 (16)
O6^iii—Rb3—O2^iii	51.67 (9)	Rb1^xvi—Mo3—Rb2^iii	54.523 (12)
O8—Rb3—O2^iii	53.62 (9)	Rb4^iii—Mo3—Rb2^iii	54.373 (17)
O8^viii—Rb3—O2^iii	171.90 (9)	Rb1—Mo3—Rb2^iii	119.363 (18)
O1^xiv—Rb3—O2^iii	48.12 (9)	Mo1—O1—Rb2	158.2 (2)
O1^xv—Rb3—O2^iii	110.15 (9)	Mo1—O1—Rb3^vii	117.03 (19)
O4—Rb3—O2^iii	113.06 (6)	Rb2—O1—Rb3^vii	84.23 (10)
O5—Rb3—O2^iii	105.88 (6)	Mo3—O2—Mo1	144.4 (2)
O2^xiii—Rb3—O2^iii	133.72 (11)	Mo3—O2—Rb4	95.18 (12)
O6^xiii—Rb3—Rb2^xiv	142.52 (7)	Mo1—O2—Rb4	117.41 (14)
O6^iii—Rb3—Rb2^xiv	142.52 (7)	Mo3—O2—Rb3^ix	85.53 (11)
O8—Rb3—Rb2^xiv	91.51 (8)	Mo1—O2—Rb3^ix	88.77 (11)
O8^viii—Rb3—Rb2^xiv	91.51 (8)	Rb4—O2—Rb3^ix	121.67 (10)
O1^xiv—Rb3—Rb2^xiv	45.99 (8)	Mo2—O3—Mo1	135.9 (2)
O1^xv—Rb3—Rb2^xiv	45.99 (8)	Mo2—O3—Rb1	92.20 (16)
O4—Rb3—Rb2^xiv	81.04 (10)	Mo1—O3—Rb1	109.69 (13)
O5—Rb3—Rb2^xiv	131.69 (10)	Mo2—O4—Rb4	126.8 (3)
O2^xiii—Rb3—Rb2^xiv	91.65 (5)	Mo2—O4—Rb3	108.2 (3)
O2^iii—Rb3—Rb2^xiv	91.65 (5)	Rb4—O4—Rb3	124.92 (16)
O6^xiii—Rb3—Mo2	96.57 (8)	Mo2—O5—Rb2^iv	174.1 (3)
O6^iii—Rb3—Mo2	96.57 (8)	Mo2—O5—Rb1^xvii	98.96 (11)
O8—Rb3—Mo2	60.23 (8)	Rb2^iv—O5—Rb1^xvii	81.39 (11)
O8^viii—Rb3—Mo2	60.23 (8)	Mo2—O5—Rb1	98.96 (11)
O1^xiv—Rb3—Mo2	129.22 (8)	Rb2^iv—O5—Rb1	81.39 (11)
O1^xv—Rb3—Mo2	129.22 (8)	Rb1^xvii—O5—Rb1	161.2 (2)
O4—Rb3—Mo2	24.51 (10)	Mo2—O5—Rb4^ii	99.4 (3)
O5—Rb3—Mo2	26.15 (9)	Rb2^iv—O5—Rb4^ii	86.55 (14)
O2^xiii—Rb3—Mo2	111.71 (5)	Rb1^xvii—O5—Rb4^ii	85.70 (11)
O2^iii—Rb3—Mo2	111.71 (5)	Rb1—O5—Rb4^ii	85.70 (11)
Rb2^xiv—Rb3—Mo2	105.55 (2)	Mo2—O5—Rb3	90.5 (2)
O4—Rb4—O6^ix	137.20 (10)	Rb2^iv—O5—Rb3	83.58 (16)
O4—Rb4—O6^x	137.20 (10)	Rb1^xvii—O5—Rb3	92.81 (12)
O6^ix—Rb4—O6^x	58.27 (14)	Rb1—O5—Rb3	92.81 (12)
O4—Rb4—O7^viii	60.83 (10)	Rb4^ii—O5—Rb3	170.13 (19)
O6^ix—Rb4—O7^viii	161.54 (10)	Mo3—O6—Rb2^iii	142.0 (2)
O6^x—Rb4—O7^viii	113.26 (10)	Mo3—O6—Rb3^ix	112.61 (17)
O4—Rb4—O7	60.83 (10)	Rb2^iii—O6—Rb3^ix	95.02 (11)
O6^ix—Rb4—O7	113.26 (10)	Mo3—O6—Rb4^iii	110.55 (19)
O6^x—Rb4—O7	161.54 (10)	Rb2^iii—O6—Rb4^iii	80.53 (9)
O7^viii—Rb4—O7	69.30 (14)	Rb3^ix—O6—Rb4^iii	111.51 (12)
O4—Rb4—O2^viii	57.92 (7)	Mo3—O7—Rb2^xiv	156.9 (2)
O6^ix—Rb4—O2^viii	132.73 (10)	Mo3—O7—Rb1^xvi	112.96 (17)
O6^x—Rb4—O2^viii	83.34 (9)	Rb2^xiv—O7—Rb1^xvi	82.62 (9)
O7^viii—Rb4—O2^viii	55.16 (9)	Mo3—O7—Rb4	100.64 (15)
O7—Rb4—O2^viii	110.89 (10)	Rb2^xiv—O7—Rb4	95.15 (11)
O4—Rb4—O2	57.92 (7)	Rb1^xvi—O7—Rb4	93.06 (11)
O6^ix—Rb4—O2	83.34 (9)	Mo3—O8—Rb1	129.91 (19)
O6^x—Rb4—O2	132.73 (10)	Mo3—O8—Rb3	110.23 (18)
O7^viii—Rb4—O2	110.89 (10)	Rb1—O8—Rb3	107.41 (13)
O7—Rb4—O2	55.16 (9)	Mo3—O8—Rb4^iii	92.79 (15)
O2^viii—Rb4—O2	109.36 (12)	Rb1—O8—Rb4^iii	86.45 (10)
O4—Rb4—O5^xvi	115.59 (14)	Rb3—O8—Rb4^iii	131.03 (12)

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

(II) dicaesium heptaoxodimolybdate

Crystal data

Cs2Mo2O7	F(000) = 2000
Mr = 569.70	Dx = 4.435 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 5301 reflections
a = 15.5580 (5) Å	θ = 2.4–34.5°
b = 15.1794 (5) Å	µ = 11.34 mm^−1
c = 7.2252 (2) Å	T = 293 K
β = 90.0059 (11)°	Fragment, colourless
V = 1706.31 (9) Å^3	0.16 × 0.13 × 0.10 mm
Z = 8

Data collection

Bruker Nonius X8 APEX CCD area-detector diffractometer	8167 independent reflections
Radiation source: fine-focus sealed X-ray tube	7405 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.028
ϕ scans, frame data integration	θmax = 36.3°, θmin = 1.3°
Absorption correction: multi-scan (SADABS; Bruker, 2004)	h = −25→18
Tmin = 0.264, Tmax = 0.397	k = −19→25
21380 measured reflections	l = −12→8

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)] = 0.028	w = 1/[σ^2(Fo^2) + (0.009P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.058	(Δ/σ)max = 0.001
S = 1.07	Δρmax = 1.52 e Å^−3
8167 reflections	Δρmin = −1.48 e Å^−3
201 parameters	Extinction correction: SHELXL97 (Sheldrick, 1997), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00018 (3)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

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

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

	x	y	z	Uiso*/Ueq
Cs1	0.305713 (17)	0.488134 (17)	0.71413 (4)	0.02378 (6)
Cs2	0.16855 (2)	0.511854 (17)	0.22599 (4)	0.02549 (6)
Cs3	0.05951 (2)	0.317975 (18)	0.71214 (5)	0.03001 (7)
Cs4	0.542116 (19)	0.331208 (18)	0.78093 (5)	0.02846 (6)
Mo1	0.28731 (2)	0.25051 (2)	0.48632 (4)	0.01324 (5)
Mo2	0.421384 (19)	0.40626 (2)	0.24720 (4)	0.01540 (6)
Mo3	0.226402 (19)	0.75416 (2)	0.50724 (4)	0.01281 (6)
Mo4	0.076127 (19)	0.60920 (2)	0.76033 (4)	0.01473 (6)
O1	0.2063 (2)	0.1769 (2)	0.5235 (5)	0.0300 (8)
O2	0.2317 (2)	0.3463 (2)	0.4408 (4)	0.0248 (7)
O3	0.31550 (17)	0.21878 (17)	0.2381 (4)	0.0184 (5)
O4	0.3834 (2)	0.1480 (2)	0.5429 (4)	0.0277 (8)
O5	0.4139 (2)	0.3329 (2)	0.4401 (4)	0.0236 (7)
O6	0.5267 (2)	0.4371 (3)	0.2068 (6)	0.0511 (11)
O7	0.3609 (2)	0.5009 (2)	0.2916 (6)	0.0389 (9)
O8	0.3192 (2)	0.6964 (2)	0.5405 (5)	0.0264 (7)
O9	0.2631 (2)	0.8578 (2)	0.4539 (4)	0.0267 (7)
O10	0.19872 (17)	0.78356 (17)	0.7593 (4)	0.0178 (5)
O11	0.1458 (2)	0.6401 (2)	0.5747 (4)	0.0232 (6)
O12	0.0861 (2)	0.8208 (2)	0.4564 (4)	0.0226 (6)
O13	−0.0284 (2)	0.6175 (2)	0.6776 (5)	0.0321 (8)
O14	0.0987 (3)	0.50124 (19)	0.8239 (5)	0.0321 (8)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cs1	0.02287 (11)	0.02133 (11)	0.02713 (13)	0.00009 (9)	0.00106 (11)	−0.00772 (10)
Cs2	0.03514 (13)	0.02007 (11)	0.02125 (12)	−0.00143 (10)	−0.00264 (12)	0.00327 (10)
Cs3	0.03963 (15)	0.02490 (13)	0.02551 (14)	−0.00782 (11)	0.00071 (13)	−0.00070 (11)
Cs4	0.02705 (12)	0.03026 (13)	0.02806 (13)	−0.00301 (10)	0.00353 (12)	0.00190 (12)
Mo1	0.01830 (12)	0.01333 (12)	0.00811 (12)	−0.00066 (14)	−0.00024 (11)	0.00040 (10)
Mo2	0.01524 (12)	0.01767 (13)	0.01330 (15)	−0.00410 (10)	0.00006 (12)	−0.00122 (11)
Mo3	0.01669 (12)	0.01299 (12)	0.00874 (13)	−0.00161 (13)	0.00128 (12)	0.00047 (10)
Mo4	0.01627 (12)	0.01514 (13)	0.01277 (14)	−0.00185 (10)	0.00015 (12)	0.00165 (11)
O1	0.0359 (19)	0.0309 (18)	0.0232 (16)	−0.0178 (16)	0.0004 (14)	−0.0006 (13)
O2	0.0280 (17)	0.0256 (16)	0.0208 (15)	0.0079 (13)	−0.0018 (13)	−0.0010 (12)
O3	0.0313 (14)	0.0162 (12)	0.0076 (11)	0.0009 (10)	−0.0004 (11)	0.0005 (9)
O4	0.043 (2)	0.0266 (17)	0.0137 (13)	0.0166 (15)	−0.0050 (13)	−0.0009 (12)
O5	0.0245 (16)	0.0322 (17)	0.0142 (13)	−0.0053 (14)	−0.0069 (12)	0.0015 (12)
O6	0.0252 (17)	0.087 (3)	0.041 (2)	−0.0181 (19)	−0.0038 (18)	0.015 (2)
O7	0.048 (2)	0.0212 (15)	0.047 (2)	0.0039 (14)	0.017 (2)	−0.0015 (16)
O8	0.0212 (15)	0.0359 (18)	0.0220 (15)	0.0085 (13)	−0.0004 (12)	−0.0008 (14)
O9	0.039 (2)	0.0215 (15)	0.0193 (14)	−0.0109 (14)	0.0072 (14)	−0.0003 (12)
O10	0.0260 (13)	0.0165 (12)	0.0108 (12)	0.0015 (10)	−0.0007 (11)	0.0006 (10)
O11	0.0326 (17)	0.0208 (14)	0.0162 (14)	−0.0089 (13)	0.0061 (12)	−0.0016 (11)
O12	0.0242 (15)	0.0284 (16)	0.0152 (13)	0.0041 (13)	0.0020 (11)	0.0028 (11)
O13	0.0212 (15)	0.0427 (19)	0.0323 (18)	−0.0049 (14)	−0.0093 (14)	−0.0029 (15)
O14	0.052 (2)	0.0155 (14)	0.0290 (17)	−0.0009 (14)	−0.0032 (17)	0.0038 (12)

Geometric parameters (Å, º)

Cs1—O6^i	2.900 (3)	Mo2—O6	1.729 (3)
Cs1—O9^ii	2.985 (3)	Mo2—O7	1.747 (3)
Cs1—O2	3.140 (3)	Mo2—O5	1.788 (3)
Cs1—O3^iii	3.149 (3)	Mo2—O4^vii	1.791 (3)
Cs1—O7	3.177 (4)	Mo2—Cs4^v	4.0221 (5)
Cs1—O14	3.323 (4)	Mo2—Cs4^i	4.0305 (4)
Cs1—O4^iii	3.372 (3)	Mo2—Cs4^vii	4.0719 (4)
Cs1—O8	3.408 (4)	Mo2—Cs1^v	4.4290 (4)
Cs1—O5	3.508 (3)	Mo3—O8	1.706 (3)
Cs1—O11	3.539 (3)	Mo3—O9	1.718 (3)
Cs1—O1^iii	3.697 (4)	Mo3—O10	1.924 (3)
Cs1—Mo1	3.9751 (5)	Mo3—O10^vi	1.929 (3)
Cs2—O13^iv	3.016 (3)	Mo3—O11	2.192 (3)
Cs2—O7	3.035 (4)	Mo3—O12	2.434 (3)
Cs2—O14^v	3.106 (4)	Mo3—Cs2^ii	3.9904 (4)
Cs2—O2	3.113 (3)	Mo3—Cs4^xi	4.0840 (4)
Cs2—O10^vi	3.150 (3)	Mo3—Cs4^i	4.3573 (4)
Cs2—O9^vi	3.153 (3)	Mo4—O13	1.737 (3)
Cs2—O11	3.204 (3)	Mo4—O14	1.738 (3)
Cs2—O1^vii	3.270 (3)	Mo4—O12^ii	1.778 (3)
Cs2—O12^vi	3.449 (3)	Mo4—O11	1.788 (3)
Cs2—Mo4^v	3.9458 (4)	Mo4—Cs3^xii	3.8126 (4)
Cs2—Mo3^vi	3.9904 (4)	Mo4—Cs2^x	3.9458 (4)
Cs3—O14	2.960 (3)	Mo4—Cs3^iv	4.1626 (5)
Cs3—O13^iv	3.020 (3)	Mo4—Cs2^iv	4.2281 (4)
Cs3—O13^viii	3.182 (3)	Mo4—Cs3^xiii	4.4949 (5)
Cs3—O1^iii	3.206 (4)	O1—Cs3^vii	3.206 (4)
Cs3—O12^viii	3.296 (3)	O1—Cs2^iii	3.270 (3)
Cs3—O12^iv	3.324 (3)	O1—Cs1^vii	3.697 (4)
Cs3—O2	3.347 (3)	O3—Mo1^vii	1.928 (3)
Cs3—O1	3.414 (4)	O3—Cs1^vii	3.149 (3)
Cs3—Mo4^viii	3.8126 (4)	O3—Cs4^vii	3.620 (3)
Cs3—Mo1	4.0340 (5)	O4—Mo2^iii	1.791 (3)
Cs3—Cs3^vii	4.1605 (3)	O4—Cs4^vii	3.128 (4)
Cs3—Cs3^iii	4.1605 (3)	O4—Cs1^vii	3.372 (3)
Cs4—O7^i	3.007 (3)	O5—Cs4^vii	3.392 (3)
Cs4—O4^iii	3.128 (4)	O6—Cs1^i	2.900 (3)
Cs4—O5	3.169 (3)	O6—Cs4^v	3.480 (4)
Cs4—O8^i	3.197 (3)	O6—Cs4^i	3.677 (5)
Cs4—O8^ix	3.241 (3)	O7—Cs4^i	3.007 (3)
Cs4—O5^iii	3.392 (3)	O8—Cs4^i	3.197 (3)
Cs4—O6^x	3.480 (4)	O8—Cs4^xi	3.241 (3)
Cs4—O9^ix	3.608 (4)	O9—Cs1^vi	2.985 (3)
Cs4—O3^iii	3.620 (3)	O9—Cs2^ii	3.153 (3)
Cs4—O6^i	3.677 (5)	O9—Cs4^xi	3.608 (4)
Cs4—Mo2^x	4.0221 (5)	O10—Mo3^ii	1.929 (3)
Cs4—Mo2^i	4.0305 (4)	O10—Cs2^ii	3.150 (3)
Mo1—O1	1.706 (3)	O12—Mo4^vi	1.778 (3)
Mo1—O2	1.724 (3)	O12—Cs3^xii	3.296 (3)
Mo1—O3	1.908 (3)	O12—Cs3^iv	3.324 (3)
Mo1—O3^iii	1.928 (3)	O12—Cs2^ii	3.449 (3)
Mo1—O4	2.196 (3)	O13—Cs2^iv	3.016 (3)
Mo1—O5	2.356 (3)	O13—Cs3^iv	3.020 (3)
Mo1—Cs1^vii	4.1318 (5)	O13—Cs3^xii	3.182 (3)
Mo1—Cs3^vii	4.1911 (5)	O14—Cs2^x	3.106 (4)
Mo1—Cs4^vii	4.4110 (5)
O6^i—Cs1—O9^ii	77.22 (11)	O3—Mo1—Cs1^vii	46.80 (8)
O6^i—Cs1—O2	136.20 (11)	O3^iii—Mo1—Cs1^vii	130.18 (8)
O9^ii—Cs1—O2	145.15 (9)	O4—Mo1—Cs1^vii	54.56 (9)
O6^i—Cs1—O3^iii	109.63 (10)	O5—Mo1—Cs1^vii	109.87 (8)
O9^ii—Cs1—O3^iii	139.47 (8)	Cs1—Mo1—Cs1^vii	170.979 (12)
O2—Cs1—O3^iii	50.85 (7)	Cs3—Mo1—Cs1^vii	118.424 (10)
O6^i—Cs1—O7	85.53 (11)	O1—Mo1—Cs3^vii	44.52 (12)
O9^ii—Cs1—O7	124.75 (8)	O2—Mo1—Cs3^vii	72.21 (11)
O2—Cs1—O7	62.41 (9)	O3—Mo1—Cs3^vii	71.79 (8)
O3^iii—Cs1—O7	95.78 (7)	O3^iii—Mo1—Cs3^vii	134.27 (8)
O6^i—Cs1—O14	143.22 (10)	O4—Mo1—Cs3^vii	119.19 (9)
O9^ii—Cs1—O14	66.38 (9)	O5—Mo1—Cs3^vii	140.47 (7)
O2—Cs1—O14	80.54 (9)	Cs1—Mo1—Cs3^vii	118.793 (10)
O3^iii—Cs1—O14	95.36 (7)	Cs3—Mo1—Cs3^vii	60.737 (7)
O7—Cs1—O14	119.19 (9)	Cs1^vii—Mo1—Cs3^vii	67.430 (7)
O6^i—Cs1—O4^iii	77.23 (10)	O1—Mo1—Cs4^vii	122.21 (13)
O9^ii—Cs1—O4^iii	98.66 (8)	O2—Mo1—Cs4^vii	128.62 (12)
O2—Cs1—O4^iii	98.88 (8)	O3—Mo1—Cs4^vii	53.57 (8)
O3^iii—Cs1—O4^iii	48.15 (7)	O3^iii—Mo1—Cs4^vii	100.43 (8)
O7—Cs1—O4^iii	128.12 (9)	O4—Mo1—Cs4^vii	41.56 (9)
O14—Cs1—O4^iii	102.47 (9)	O5—Mo1—Cs4^vii	49.50 (8)
O6^i—Cs1—O8	69.75 (10)	Cs1—Mo1—Cs4^vii	109.256 (9)
O9^ii—Cs1—O8	60.05 (9)	Cs3—Mo1—Cs4^vii	175.644 (11)
O2—Cs1—O8	115.29 (8)	Cs1^vii—Mo1—Cs4^vii	62.032 (7)
O3^iii—Cs1—O8	160.47 (7)	Cs3^vii—Mo1—Cs4^vii	122.087 (10)
O7—Cs1—O8	64.72 (8)	O6—Mo2—O7	108.57 (18)
O14—Cs1—O8	95.29 (7)	O6—Mo2—O5	111.24 (16)
O4^iii—Cs1—O8	143.67 (8)	O7—Mo2—O5	109.50 (17)
O6^i—Cs1—O5	86.73 (10)	O6—Mo2—O4^vii	107.35 (19)
O9^ii—Cs1—O5	163.85 (9)	O7—Mo2—O4^vii	110.61 (19)
O2—Cs1—O5	50.23 (8)	O5—Mo2—O4^vii	109.54 (14)
O3^iii—Cs1—O5	48.53 (7)	O6—Mo2—Cs1	118.83 (14)
O7—Cs1—O5	50.88 (8)	O7—Mo2—Cs1	49.50 (14)
O14—Cs1—O5	129.78 (7)	O5—Mo2—Cs1	60.60 (11)
O4^iii—Cs1—O5	79.28 (8)	O4^vii—Mo2—Cs1	133.32 (12)
O8—Cs1—O5	112.70 (8)	O6—Mo2—Cs4^v	59.51 (14)
O6^i—Cs1—O11	115.64 (10)	O7—Mo2—Cs4^v	129.67 (14)
O9^ii—Cs1—O11	59.90 (8)	O5—Mo2—Cs4^v	120.47 (11)
O2—Cs1—O11	90.58 (7)	O4^vii—Mo2—Cs4^v	48.20 (12)
O3^iii—Cs1—O11	134.41 (7)	Cs1—Mo2—Cs4^v	178.145 (10)
O7—Cs1—O11	82.92 (8)	O6—Mo2—Cs4^i	65.81 (15)
O14—Cs1—O11	49.28 (7)	O7—Mo2—Cs4^i	43.27 (12)
O4^iii—Cs1—O11	148.40 (8)	O5—Mo2—Cs4^i	131.64 (10)
O8—Cs1—O11	48.23 (7)	O4^vii—Mo2—Cs4^i	117.36 (10)
O5—Cs1—O11	127.92 (7)	Cs1—Mo2—Cs4^i	78.449 (8)
O6^i—Cs1—O1^iii	121.49 (10)	Cs4^v—Mo2—Cs4^i	99.904 (9)
O9^ii—Cs1—O1^iii	94.98 (8)	O6—Mo2—Cs4^vii	79.20 (15)
O2—Cs1—O1^iii	76.25 (9)	O7—Mo2—Cs4^vii	164.88 (14)
O3^iii—Cs1—O1^iii	46.46 (7)	O5—Mo2—Cs4^vii	55.40 (11)
O7—Cs1—O1^iii	137.36 (8)	O4^vii—Mo2—Cs4^vii	78.15 (12)
O14—Cs1—O1^iii	59.38 (7)	Cs1—Mo2—Cs4^vii	115.463 (10)
O4^iii—Cs1—O1^iii	46.28 (8)	Cs4^v—Mo2—Cs4^vii	65.413 (7)
O8—Cs1—O1^iii	151.29 (7)	Cs4^i—Mo2—Cs4^vii	144.418 (8)
O5—Cs1—O1^iii	94.98 (7)	O6—Mo2—Cs2	140.26 (14)
O11—Cs1—O1^iii	108.64 (7)	O7—Mo2—Cs2	36.71 (13)
O6^i—Cs1—Mo1	120.09 (9)	O5—Mo2—Cs2	101.68 (11)
O9^ii—Cs1—Mo1	159.26 (7)	O4^vii—Mo2—Cs2	80.69 (13)
O2—Cs1—Mo1	24.65 (6)	Cs1—Mo2—Cs2	59.960 (7)
O3^iii—Cs1—Mo1	28.51 (5)	Cs4^v—Mo2—Cs2	120.590 (10)
O7—Cs1—Mo1	71.16 (6)	Cs4^i—Mo2—Cs2	75.860 (8)
O14—Cs1—Mo1	94.78 (5)	Cs4^vii—Mo2—Cs2	139.720 (9)
O4^iii—Cs1—Mo1	76.20 (5)	O6—Mo2—Cs1^v	99.34 (13)
O8—Cs1—Mo1	133.93 (6)	O7—Mo2—Cs1^v	73.16 (15)
O5—Cs1—Mo1	36.02 (5)	O5—Mo2—Cs1^v	145.69 (10)
O11—Cs1—Mo1	115.03 (5)	O4^vii—Mo2—Cs1^v	43.78 (11)
O1^iii—Cs1—Mo1	66.76 (6)	Cs1—Mo2—Cs1^v	117.457 (9)
O13^iv—Cs2—O7	129.89 (9)	Cs4^v—Mo2—Cs1^v	62.666 (8)
O13^iv—Cs2—O14^v	85.94 (9)	Cs4^i—Mo2—Cs1^v	74.689 (8)
O7—Cs2—O14^v	119.24 (11)	Cs4^vii—Mo2—Cs1^v	119.198 (9)
O13^iv—Cs2—O2	65.62 (9)	Cs2—Mo2—Cs1^v	59.127 (7)
O7—Cs2—O2	64.33 (9)	O6—Mo2—Cs4	79.34 (13)
O14^v—Cs2—O2	122.34 (8)	O7—Mo2—Cs4	106.21 (15)
O13^iv—Cs2—O10^vi	137.06 (8)	O5—Mo2—Cs4	35.95 (10)
O7—Cs2—O10^vi	83.97 (8)	O4^vii—Mo2—Cs4	137.56 (11)
O14^v—Cs2—O10^vi	100.07 (7)	Cs1—Mo2—Cs4	62.593 (8)
O2—Cs2—O10^vi	135.30 (8)	Cs4^v—Mo2—Cs4	117.224 (10)
O13^iv—Cs2—O9^vi	152.85 (9)	Cs4^i—Mo2—Cs4	103.768 (8)
O7—Cs2—O9^vi	70.83 (10)	Cs4^vii—Mo2—Cs4	61.678 (7)
O14^v—Cs2—O9^vi	67.21 (9)	Cs2—Mo2—Cs4	121.316 (9)
O2—Cs2—O9^vi	132.08 (9)	Cs1^v—Mo2—Cs4	178.321 (9)
O10^vi—Cs2—O9^vi	50.18 (8)	O8—Mo3—O9	102.75 (17)
O13^iv—Cs2—O11	97.72 (8)	O8—Mo3—O10	100.10 (13)
O7—Cs2—O11	91.10 (10)	O9—Mo3—O10	94.25 (13)
O14^v—Cs2—O11	136.76 (9)	O8—Mo3—O10^vi	99.62 (14)
O2—Cs2—O11	97.66 (8)	O9—Mo3—O10^vi	97.93 (13)
O10^vi—Cs2—O11	50.00 (7)	O10—Mo3—O10^vi	153.87 (15)
O9^vi—Cs2—O11	99.24 (8)	O8—Mo3—O11	92.71 (15)
O13^iv—Cs2—O1^vii	70.28 (10)	O9—Mo3—O11	164.44 (15)
O7—Cs2—O1^vii	81.08 (9)	O10—Mo3—O11	81.06 (11)
O14^v—Cs2—O1^vii	66.35 (8)	O10^vi—Mo3—O11	81.05 (11)
O2—Cs2—O1^vii	57.25 (9)	O8—Mo3—O12	173.64 (14)
O10^vi—Cs2—O1^vii	150.60 (8)	O9—Mo3—O12	83.33 (14)
O9^vi—Cs2—O1^vii	100.78 (8)	O10—Mo3—O12	81.12 (11)
O11—Cs2—O1^vii	154.70 (8)	O10^vi—Mo3—O12	77.47 (11)
O13^iv—Cs2—O12^vi	109.94 (8)	O11—Mo3—O12	81.29 (12)
O7—Cs2—O12^vi	119.70 (9)	O8—Mo3—Cs2^ii	126.32 (12)
O14^v—Cs2—O12^vi	51.67 (8)	O9—Mo3—Cs2^ii	49.33 (11)
O2—Cs2—O12^vi	173.58 (8)	O10—Mo3—Cs2^ii	50.81 (8)
O10^vi—Cs2—O12^vi	51.13 (7)	O10^vi—Mo3—Cs2^ii	125.56 (8)
O9^vi—Cs2—O12^vi	50.16 (8)	O11—Mo3—Cs2^ii	119.07 (8)
O11—Cs2—O12^vi	87.44 (8)	O12—Mo3—Cs2^ii	59.18 (8)
O1^vii—Cs2—O12^vi	117.36 (8)	O8—Mo3—Cs4^xi	49.30 (12)
O13^iv—Cs2—Mo4^v	100.22 (6)	O9—Mo3—Cs4^xi	61.87 (12)
O7—Cs2—Mo4^v	120.87 (8)	O10—Mo3—Cs4^xi	77.07 (8)
O14^v—Cs2—Mo4^v	25.10 (5)	O10^vi—Mo3—Cs4^xi	129.03 (8)
O2—Cs2—Mo4^v	147.40 (6)	O11—Mo3—Cs4^xi	130.31 (9)
O10^vi—Cs2—Mo4^v	75.54 (5)	O12—Mo3—Cs4^xi	136.77 (8)
O9^vi—Cs2—Mo4^v	53.38 (6)	Cs2^ii—Mo3—Cs4^xi	78.206 (8)
O11—Cs2—Mo4^v	113.75 (6)	O8—Mo3—Cs2	78.72 (12)
O1^vii—Cs2—Mo4^v	90.69 (6)	O9—Mo3—Cs2	138.39 (10)
O12^vi—Cs2—Mo4^v	26.76 (5)	O10—Mo3—Cs2	126.81 (8)
O13^iv—Cs2—Mo3^vi	146.53 (6)	O10^vi—Mo3—Cs2	42.28 (8)
O7—Cs2—Mo3^vi	83.57 (6)	O11—Mo3—Cs2	46.33 (8)
O14^v—Cs2—Mo3^vi	75.80 (6)	O12—Mo3—Cs2	95.53 (8)
O2—Cs2—Mo3^vi	147.66 (7)	Cs2^ii—Mo3—Cs2	154.403 (12)
O10^vi—Cs2—Mo3^vi	28.26 (5)	Cs4^xi—Mo3—Cs2	127.370 (10)
O9^vi—Cs2—Mo3^vi	24.41 (6)	O8—Mo3—Cs4^i	38.27 (11)
O11—Cs2—Mo3^vi	78.20 (5)	O9—Mo3—Cs4^i	83.72 (12)
O1^vii—Cs2—Mo3^vi	124.20 (6)	O10—Mo3—Cs4^i	134.94 (8)
O12^vi—Cs2—Mo3^vi	37.31 (5)	O10^vi—Mo3—Cs4^i	69.67 (8)
Mo4^v—Cs2—Mo3^vi	53.925 (7)	O11—Mo3—Cs4^i	110.12 (9)
O13^iv—Cs2—Cs1	96.85 (6)	O12—Mo3—Cs4^i	142.46 (7)
O7—Cs2—Cs1	49.72 (8)	Cs2^ii—Mo3—Cs4^i	129.825 (10)
O14^v—Cs2—Cs1	166.70 (7)	Cs4^xi—Mo3—Cs4^i	62.314 (7)
O2—Cs2—Cs1	48.86 (6)	Cs2—Mo3—Cs4^i	72.097 (8)
O10^vi—Cs2—Cs1	86.77 (5)	O8—Mo3—Cs1	42.01 (12)
O9^vi—Cs2—Cs1	110.20 (6)	O9—Mo3—Cs1	144.02 (12)
O11—Cs2—Cs1	55.90 (6)	O10—Mo3—Cs1	87.41 (8)
O1^vii—Cs2—Cs1	102.27 (6)	O10^vi—Mo3—Cs1	95.96 (8)
O12^vi—Cs2—Cs1	137.50 (5)	O11—Mo3—Cs1	51.05 (9)
Mo4^v—Cs2—Cs1	161.304 (9)	O12—Mo3—Cs1	132.21 (8)
Mo3^vi—Cs2—Cs1	107.381 (9)	Cs2^ii—Mo3—Cs1	137.086 (10)
O14—Cs3—O13^iv	89.00 (9)	Cs4^xi—Mo3—Cs1	83.697 (8)
O14—Cs3—O13^viii	149.50 (9)	Cs2—Mo3—Cs1	56.212 (7)
O13^iv—Cs3—O13^viii	121.26 (9)	Cs4^i—Mo3—Cs1	70.347 (7)
O14—Cs3—O1^iii	68.85 (9)	O13—Mo4—O14	110.39 (17)
O13^iv—Cs3—O1^iii	139.50 (9)	O13—Mo4—O12^ii	108.17 (15)
O13^viii—Cs3—O1^iii	87.47 (9)	O14—Mo4—O12^ii	109.63 (16)
O14—Cs3—O12^viii	86.06 (9)	O13—Mo4—O11	106.91 (16)
O13^iv—Cs3—O12^viii	124.28 (8)	O14—Mo4—O11	108.87 (17)
O13^viii—Cs3—O12^viii	74.09 (8)	O12^ii—Mo4—O11	112.84 (14)
O1^iii—Cs3—O12^viii	88.81 (8)	O13—Mo4—Cs3^xii	55.89 (11)
O14—Cs3—O12^iv	146.68 (9)	O14—Mo4—Cs3^xii	151.86 (13)
O13^iv—Cs3—O12^iv	75.80 (8)	O12^ii—Mo4—Cs3^xii	60.62 (11)
O13^viii—Cs3—O12^iv	51.85 (8)	O11—Mo4—Cs3^xii	99.02 (11)
O1^iii—Cs3—O12^iv	139.26 (9)	O13—Mo4—Cs2^x	131.43 (12)
O12^viii—Cs3—O12^iv	78.83 (8)	O14—Mo4—Cs2^x	49.31 (12)
O14—Cs3—O2	82.78 (10)	O12^ii—Mo4—Cs2^x	60.85 (11)
O13^iv—Cs3—O2	62.64 (8)	O11—Mo4—Cs2^x	121.13 (11)
O13^viii—Cs3—O2	113.03 (8)	Cs3^xii—Mo4—Cs2^x	117.933 (11)
O1^iii—Cs3—O2	80.68 (9)	O13—Mo4—Cs1	146.54 (11)
O12^viii—Cs3—O2	166.83 (8)	O14—Mo4—Cs1	54.06 (13)
O12^iv—Cs3—O2	114.33 (8)	O12^ii—Mo4—Cs1	105.17 (10)
O14—Cs3—O1	124.11 (10)	O11—Mo4—Cs1	61.30 (11)
O13^iv—Cs3—O1	86.46 (9)	Cs3^xii—Mo4—Cs1	150.900 (10)
O13^viii—Cs3—O1	66.54 (8)	Cs2^x—Mo4—Cs1	64.977 (8)
O1^iii—Cs3—O1	79.58 (8)	O13—Mo4—Cs3^iv	39.11 (12)
O12^viii—Cs3—O1	139.25 (8)	O14—Mo4—Cs3^iv	124.71 (12)
O12^iv—Cs3—O1	84.95 (8)	O12^ii—Mo4—Cs3^iv	122.59 (11)
O2—Cs3—O1	46.50 (8)	O11—Mo4—Cs3^iv	67.83 (11)
O14—Cs3—Mo4^viii	151.75 (8)	Cs3^xii—Mo4—Cs3^iv	62.709 (7)
O13^iv—Cs3—Mo4^viii	103.26 (6)	Cs2^x—Mo4—Cs3^iv	169.539 (10)
O13^viii—Cs3—Mo4^viii	26.87 (5)	Cs1—Mo4—Cs3^iv	120.154 (10)
O1^iii—Cs3—Mo4^viii	112.19 (7)	O13—Mo4—Cs2^iv	36.57 (11)
O12^viii—Cs3—Mo4^viii	65.95 (6)	O14—Mo4—Cs2^iv	76.44 (13)
O12^iv—Cs3—Mo4^viii	27.79 (5)	O12^ii—Mo4—Cs2^iv	108.62 (10)
O2—Cs3—Mo4^viii	125.47 (6)	O11—Mo4—Cs2^iv	132.68 (10)
O1—Cs3—Mo4^viii	82.51 (6)	Cs3^xii—Mo4—Cs2^iv	82.051 (8)
O14—Cs3—Mo1	99.68 (8)	Cs2^x—Mo4—Cs2^iv	98.356 (9)
O13^iv—Cs3—Mo1	81.13 (6)	Cs1—Mo4—Cs2^iv	126.987 (10)
O13^viii—Cs3—Mo1	89.55 (6)	Cs3^iv—Mo4—Cs2^iv	71.231 (7)
O1^iii—Cs3—Mo1	70.39 (6)	O13—Mo4—Cs2	91.65 (12)
O12^viii—Cs3—Mo1	154.26 (6)	O14—Mo4—Cs2	81.28 (13)
O12^iv—Cs3—Mo1	106.83 (5)	O12^ii—Mo4—Cs2	151.19 (10)
O2—Cs3—Mo1	24.85 (6)	O11—Mo4—Cs2	39.42 (10)
O1—Cs3—Mo1	24.73 (6)	Cs3^xii—Mo4—Cs2	120.565 (10)
Mo4^viii—Cs3—Mo1	107.241 (10)	Cs2^x—Mo4—Cs2	120.395 (10)
O14—Cs3—Cs3^vii	134.66 (7)	Cs1—Mo4—Cs2	58.791 (7)
O13^iv—Cs3—Cs3^vii	49.55 (6)	Cs3^iv—Mo4—Cs2	62.150 (8)
O13^viii—Cs3—Cs3^vii	75.11 (6)	Cs2^iv—Mo4—Cs2	99.774 (9)
O1^iii—Cs3—Cs3^vii	128.41 (6)	O13—Mo4—Cs3	89.49 (11)
O12^viii—Cs3—Cs3^vii	129.59 (5)	O14—Mo4—Cs3	25.02 (12)
O12^iv—Cs3—Cs3^vii	50.77 (5)	O12^ii—Mo4—Cs3	131.50 (10)
O2—Cs3—Cs3^vii	63.58 (6)	O11—Mo4—Cs3	103.75 (10)
O1—Cs3—Cs3^vii	48.87 (6)	Cs3^xii—Mo4—Cs3	143.046 (8)
Mo4^viii—Cs3—Cs3^vii	68.473 (9)	Cs2^x—Mo4—Cs3	73.462 (8)
Mo1—Cs3—Cs3^vii	61.498 (7)	Cs1—Mo4—Cs3	65.880 (7)
O14—Cs3—Cs3^iii	103.26 (7)	Cs3^iv—Mo4—Cs3	99.818 (8)
O13^iv—Cs3—Cs3^iii	166.01 (6)	Cs2^iv—Mo4—Cs3	61.113 (7)
O13^viii—Cs3—Cs3^iii	46.24 (6)	Cs2—Mo4—Cs3	67.294 (7)
O1^iii—Cs3—Cs3^iii	53.33 (7)	O13—Mo4—Cs3^xiii	80.46 (12)
O12^viii—Cs3—Cs3^iii	51.35 (6)	O14—Mo4—Cs3^xiii	95.89 (13)
O12^iv—Cs3—Cs3^iii	90.22 (5)	O12^ii—Mo4—Cs3^xiii	38.56 (10)
O2—Cs3—Cs3^iii	124.92 (5)	O11—Mo4—Cs3^xiii	148.93 (10)
O1—Cs3—Cs3^iii	92.04 (6)	Cs3^xii—Mo4—Cs3^xiii	59.432 (7)
Mo4^viii—Cs3—Cs3^iii	62.765 (9)	Cs2^x—Mo4—Cs3^xiii	62.622 (8)
Mo1—Cs3—Cs3^iii	103.023 (8)	Cs1—Mo4—Cs3^xiii	126.759 (10)
Cs3^vii—Cs3—Cs3^iii	120.527 (13)	Cs3^iv—Mo4—Cs3^xiii	113.085 (10)
O7^i—Cs4—O4^iii	114.58 (9)	Cs2^iv—Mo4—Cs3^xiii	70.385 (7)
O7^i—Cs4—O5	100.00 (10)	Cs2—Mo4—Cs3^xiii	170.159 (9)
O4^iii—Cs4—O5	88.41 (9)	Cs3—Mo4—Cs3^xiii	106.493 (8)
O7^i—Cs4—O8^i	69.28 (10)	Mo1—O1—Cs3^vii	113.57 (16)
O4^iii—Cs4—O8^i	170.27 (8)	Mo1—O1—Cs2^iii	140.98 (19)
O5—Cs4—O8^i	82.04 (8)	Cs3^vii—O1—Cs2^iii	101.97 (9)
O7^i—Cs4—O8^ix	105.69 (9)	Mo1—O1—Cs3	98.41 (15)
O4^iii—Cs4—O8^ix	110.39 (9)	Cs3^vii—O1—Cs3	77.80 (9)
O5—Cs4—O8^ix	137.17 (9)	Cs2^iii—O1—Cs3	104.53 (10)
O8^i—Cs4—O8^ix	75.95 (7)	Mo1—O1—Cs1^vii	92.25 (14)
O7^i—Cs4—O5^iii	167.49 (9)	Cs3^vii—O1—Cs1^vii	83.70 (8)
O4^iii—Cs4—O5^iii	53.45 (8)	Cs2^iii—O1—Cs1^vii	75.64 (8)
O5—Cs4—O5^iii	84.20 (8)	Cs3—O1—Cs1^vii	161.14 (11)
O8^i—Cs4—O5^iii	123.15 (8)	Mo1—O2—Cs2	159.16 (17)
O8^ix—Cs4—O5^iii	78.06 (8)	Mo1—O2—Cs1	105.91 (14)
O7^i—Cs4—O6^x	78.31 (10)	Cs2—O2—Cs1	82.87 (8)
O4^iii—Cs4—O6^x	50.49 (8)	Mo1—O2—Cs3	100.46 (14)
O5—Cs4—O6^x	129.79 (9)	Cs2—O2—Cs3	98.24 (9)
O8^i—Cs4—O6^x	138.53 (8)	Cs1—O2—Cs3	90.75 (8)
O8^ix—Cs4—O6^x	89.16 (9)	Mo1—O3—Mo1^vii	140.66 (15)
O5^iii—Cs4—O6^x	89.93 (8)	Mo1—O3—Cs1^vii	107.00 (10)
O7^i—Cs4—O9^ix	64.93 (10)	Mo1^vii—O3—Cs1^vii	100.26 (10)
O4^iii—Cs4—O9^ix	109.31 (8)	Mo1—O3—Cs4^vii	101.33 (9)
O5—Cs4—O9^ix	160.12 (8)	Mo1^vii—O3—Cs4^vii	110.65 (10)
O8^i—Cs4—O9^ix	80.42 (8)	Cs1^vii—O3—Cs4^vii	80.95 (6)
O8^ix—Cs4—O9^ix	45.60 (8)	Mo2^iii—O4—Mo1	134.74 (18)
O5^iii—Cs4—O9^ix	113.35 (7)	Mo2^iii—O4—Cs4^vii	106.54 (15)
O6^x—Cs4—O9^ix	62.39 (7)	Mo1—O4—Cs4^vii	110.68 (12)
O7^i—Cs4—O3^iii	130.64 (8)	Mo2^iii—O4—Cs1^vii	114.66 (14)
O4^iii—Cs4—O3^iii	45.87 (7)	Mo1—O4—Cs1^vii	93.40 (11)
O5—Cs4—O3^iii	47.32 (7)	Cs4^vii—O4—Cs1^vii	85.33 (8)
O8^i—Cs4—O3^iii	124.58 (7)	Mo2—O5—Mo1	119.72 (15)
O8^ix—Cs4—O3^iii	123.36 (7)	Mo2—O5—Cs4	124.70 (14)
O5^iii—Cs4—O3^iii	45.74 (7)	Mo1—O5—Cs4	114.32 (11)
O6^x—Cs4—O3^iii	96.05 (7)	Mo2—O5—Cs4^vii	98.89 (13)
O9^ix—Cs4—O3^iii	152.50 (7)	Mo1—O5—Cs4^vii	98.63 (10)
O7^i—Cs4—O6^i	48.69 (9)	Cs4—O5—Cs4^vii	83.53 (7)
O4^iii—Cs4—O6^i	70.05 (8)	Mo2—O5—Cs1	93.03 (12)
O5—Cs4—O6^i	80.08 (9)	Mo1—O5—Cs1	82.86 (9)
O8^i—Cs4—O6^i	109.85 (9)	Cs4—O5—Cs1	82.46 (7)
O8^ix—Cs4—O6^i	141.99 (8)	Cs4^vii—O5—Cs1	165.20 (10)
O5^iii—Cs4—O6^i	121.51 (8)	Mo2—O6—Cs1^i	157.6 (2)
O6^x—Cs4—O6^i	61.11 (11)	Mo2—O6—Cs4^v	95.13 (16)
O9^ix—Cs4—O6^i	97.16 (8)	Cs1^i—O6—Cs4^v	107.04 (11)
O3^iii—Cs4—O6^i	85.35 (7)	Mo2—O6—Cs4^i	88.79 (16)
O7^i—Cs4—Mo2^x	98.07 (8)	Cs1^i—O6—Cs4^i	83.27 (10)
O4^iii—Cs4—Mo2^x	25.26 (6)	Cs4^v—O6—Cs4^i	118.89 (11)
O5—Cs4—Mo2^x	110.76 (6)	Mo2—O7—Cs4^i	113.26 (17)
O8^i—Cs4—Mo2^x	163.88 (6)	Mo2—O7—Cs2	123.17 (17)
O8^ix—Cs4—Mo2^x	98.98 (6)	Cs4^i—O7—Cs2	114.90 (11)
O5^iii—Cs4—Mo2^x	69.46 (5)	Mo2—O7—Cs1	105.78 (17)
O6^x—Cs4—Mo2^x	25.36 (6)	Cs4^i—O7—Cs1	110.79 (12)
O9^ix—Cs4—Mo2^x	85.17 (5)	Cs2—O7—Cs1	83.50 (9)
O3^iii—Cs4—Mo2^x	71.09 (4)	Mo3—O8—Cs4^i	122.43 (15)
O6^i—Cs4—Mo2^x	64.72 (6)	Mo3—O8—Cs4^xi	107.17 (15)
O7^i—Cs4—Mo2^i	23.47 (7)	Cs4^i—O8—Cs4^xi	85.58 (8)
O4^iii—Cs4—Mo2^i	92.40 (6)	Mo3—O8—Cs1	118.42 (15)
O5—Cs4—Mo2^i	92.39 (6)	Cs4^i—O8—Cs1	100.80 (9)
O8^i—Cs4—Mo2^i	89.89 (7)	Cs4^xi—O8—Cs1	118.70 (10)
O8^ix—Cs4—Mo2^i	123.40 (6)	Mo3—O9—Cs1^vi	157.16 (16)
O5^iii—Cs4—Mo2^i	145.68 (6)	Mo3—O9—Cs2^ii	106.26 (13)
O6^x—Cs4—Mo2^i	66.27 (7)	Cs1^vi—O9—Cs2^ii	88.52 (9)
O9^ix—Cs4—Mo2^i	78.32 (5)	Mo3—O9—Cs4^xi	93.30 (13)
O3^iii—Cs4—Mo2^i	109.89 (4)	Cs1^vi—O9—Cs4^xi	102.09 (9)
O6^i—Cs4—Mo2^i	25.40 (5)	Cs2^ii—O9—Cs4^xi	97.54 (8)
Mo2^x—Cs4—Mo2^i	80.096 (9)	Mo3—O10—Mo3^ii	139.48 (14)
O1—Mo1—O2	102.21 (18)	Mo3—O10—Cs2^ii	100.93 (10)
O1—Mo1—O3	98.78 (14)	Mo3^ii—O10—Cs2^ii	113.38 (11)
O2—Mo1—O3	98.56 (13)	Mo4—O11—Mo3	136.14 (16)
O1—Mo1—O3^iii	100.24 (14)	Mo4—O11—Cs2	119.84 (13)
O2—Mo1—O3^iii	95.18 (13)	Mo3—O11—Cs2	104.00 (10)
O3—Mo1—O3^iii	153.56 (16)	Mo4—O11—Cs1	92.40 (12)
O1—Mo1—O4	90.54 (17)	Mo3—O11—Cs1	100.15 (11)
O2—Mo1—O4	167.15 (15)	Cs2—O11—Cs1	75.53 (7)
O3—Mo1—O4	80.77 (11)	Mo4^vi—O12—Mo3	116.51 (15)
O3^iii—Mo1—O4	80.85 (11)	Mo4^vi—O12—Cs3^xii	121.80 (14)
O1—Mo1—O5	170.92 (16)	Mo3—O12—Cs3^xii	120.10 (11)
O2—Mo1—O5	86.84 (14)	Mo4^vi—O12—Cs3^iv	91.59 (12)
O3—Mo1—O5	78.97 (11)	Mo3—O12—Cs3^iv	113.79 (11)
O3^iii—Mo1—O5	79.36 (11)	Cs3^xii—O12—Cs3^iv	77.87 (7)
O4—Mo1—O5	80.43 (13)	Mo4^vi—O12—Cs2^ii	92.39 (12)
O1—Mo1—Cs1	125.61 (13)	Mo3—O12—Cs2^ii	83.51 (9)
O2—Mo1—Cs1	49.44 (11)	Cs3^xii—O12—Cs2^ii	81.65 (7)
O3—Mo1—Cs1	126.99 (8)	Cs3^iv—O12—Cs2^ii	158.00 (10)
O3^iii—Mo1—Cs1	51.22 (8)	Mo4—O13—Cs2^iv	123.36 (16)
O4—Mo1—Cs1	121.13 (9)	Mo4—O13—Cs3^iv	119.62 (16)
O5—Mo1—Cs1	61.12 (8)	Cs2^iv—O13—Cs3^iv	108.09 (9)
O1—Mo1—Cs3	56.85 (13)	Mo4—O13—Cs3^xii	97.23 (13)
O2—Mo1—Cs3	54.69 (12)	Cs2^iv—O13—Cs3^xii	117.06 (11)
O3—Mo1—Cs3	130.26 (8)	Cs3^iv—O13—Cs3^xii	84.21 (9)
O3^iii—Mo1—Cs3	75.92 (8)	Mo4—O14—Cs3	140.61 (18)
O4—Mo1—Cs3	134.63 (9)	Mo4—O14—Cs2^x	105.59 (14)
O5—Mo1—Cs3	131.06 (8)	Cs3—O14—Cs2^x	112.08 (10)
Cs1—Mo1—Cs3	70.452 (8)	Mo4—O14—Cs1	100.89 (15)
O1—Mo1—Cs1^vii	63.38 (13)	Cs3—O14—Cs1	94.48 (10)
O2—Mo1—Cs1^vii	133.12 (11)	Cs2^x—O14—Cs1	83.51 (9)

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