Cs₆Mo₂₇S₃₁: a novel ternary reduced molybdenum sulfide containing Mo₉ and Mo₁₈ clusters

The crystal structure of hexacaesium heptacosamolybdenum hentriaconta­sulfide, Cs₆Mo₂₇S₃₁, consists of a mixture of Mo₉S₁₁S₆ and Mo₁₈S₂₀S₆ cluster units in a 1:1 ratio. The units are connected through Mo-S bonds. Cs⁺ cations occupy large voids between the different cluster units.

S1. Comment

The crystal structures of the reduced molybdenum chalcogenides are characterized by metal-metal bonding which manifests itself as discrete clusters of diverse sizes and geometries. Up to now, eleven different Mo clusters with nuclearities going from 3 to 36 have been synthesized in solid-state compounds. Clusters with a nuclearity higher than six, i.e. Mo_3n (n = 3, 4, 5, 6, 7, 8, 10 and 12) result from the one-dimensional trans-face sharing of (n-1) Mo₆ octahedra. The Mo_3n clusters are surrounded by 3n+8 chalchogenide atoms to form Mo_3nXⁱ_3n+2X^a₆ units that share the six external X^a atoms to create the Mo—X framework. Large voids or channels between the Mo_3nX_3n+2 units are thus formed in which the cations reside. Compounds containing such clusters can be classified in two groups. The first group comprises the reduced molybdenum chalcogenides, the crystal structures of which contain only one type of cluster. This group is particularly well represented by the series of compounds M_n-2Mo_3nX_3n+2 (M = Rb, Cs; X = S, Se or Te; n = 3, 4, 5, 6, 7, 8, 10 and 12) containing Mo₉, Mo₁₂, Mo₁₅, Mo₁₈, Mo₂₁, Mo₂₄, Mo₃₀ and Mo₃₆ clusters (Gougeon, 1984; Gougeon et al., 1984; Gougeon et al., 1987; Gougeon et al., 1988, Gougeon et al., 1989a, b; Gougeon et al., 1990; Thomas et al., 1997; Gautier et al., 1998; Picard et al., 1999a, b). The second group is based on compounds containing clusters of different nuclearities in equal proportion and is represented by the series of compounds Rb_2nMo₉S₁₁Mo_6nS_6n+2 (n = 1, 2, 3, 4 and 5) (Picard et al., 2000). The interest for these Mo cluster compounds lies not only in their fascinating structural aspect but, also, in their interesting physical properties. For example, the Rb_2nMo₉S₁₁Mo_6nS_6n+2 (n = 1, 2, 3, and 4) compounds are superconducting with critical temperatures ranging from 4.2 to 11 K.

We present here the crystal structure of Cs₆Mo₂₇S₃₁ that contains Mo₉Sⁱ₁₁S^a₆ and Mo₁₈Sⁱ₂₀S^a₆ cluster units in equal proportion. This compound is isostructural with Rb₆Mo₂₇S₃₁ and constitutes the third member of the Cs_2nMo₉S₁₁Mo_6nS_6n+2 series. The Mo₉S₁₁ and Mo₁₈S₂₀ cluster units are centred at 6a (D3 or 32 symmetry) and 6 b positions (S₆ or 3 symmetry), respectively (Fig. 1). The Mo—Mo distances within the Mo₉ clusters are 2.6771 (3) Å and 2.6925 (4) Å for the intra-triangle distances (distances within the Mo₃ triangles formed by the Mo atoms related through the threefold axis), and 2.7313 (2) Å and 2.7820 (2) Å for the inter-triangle distances. The Mo—Mo distances within the Mo₁₈ clusters are comprised between 2.6341 (3) and 2.6804 (3) Å for the intra-triangle distances and 2.7139 (2) and 2.7479 (2) Å for those between the Mo₃ triangles. The sulfur atoms bridge either one [S1, S3, S5 and S6] or two [S2, S4 and S5] Mo triangular faces of the clusters. Moreover the S1 and S3 atoms are linked to a Mo atom of a neighbouring cluster. The Mo—S bond distances range from 2.4115 (5) to 2.6267 (4) Å within the Mo₉S₁₁ unit and from 2.3982 (7) to 2.5857 (6) Å within the Mo₁₈S₂₀ unit. The Mo—Mo and Mo—S distances in both units are quite similar to those observed in Rb₆Mo₂₇S₃₁ (Picard et al., 2000) since the greatest difference is 0.01 Å for the Mo—Mo and Mo—S bonds. This clearly shows that the number of electrons per Mo₉ and Mo₁₈ clusters should be almost the same in both compounds. Each Mo₉S₁₁ unit is interconnected to six Mo₁₈S₂₀ units (and vice-versa) via Mo1 - S3 bonds (respectively Mo3 - S1) to form a three-dimensional Mo—S framework with a connectivity of Mo₉Sⁱ₅S^i-a_6/2S^a-i_6/2, Mo₁₈Sⁱ₁₄S^i-a_6/2S^a-i_6/2 (Fig. 2). It results from this arrangement that the shortest Mo1—Mo3 distance between the Mo₉ and Mo₁₈ clusters is 3.2864 (2) Å, indicating only weak metal-metal interactions. The Mo1—Mo3 distance is slightly longer than the distance of 3.223 (1) Å observed for Rb₆Mo₂₇S₃₁, as expected from the larger size of the Cs⁺ cations.

The alkali-metal cations are arranged in finite chains along the three- fold axis between two adjacent Mo₉S₁₁ and Mo₁₈S₂₀ units. The Cs1⁺ and Cs3⁺ cations at both ends of the finite chains are in tetra-capped trigonal prismatic environment of sulfur atoms, and the Cs2⁺ cations are in tri-capped trigonal coordination (Fig. 3). The latter environment is similar to that encountered in the quasi-one-dimensional compounds M₂Mo₆X₆ (Potel, 1981). The Cs—S distances spread over a wide range from 3.2829 (5) Å to 3.9872 (6) Å.

Cs₆Mo₂₇S₃₁ was found to be superconducting at 3.3 K (7 K for Rb₆Mo₂₇S₃₁) from dc susceptibility measurements on a batch of single crystals.

S2. Experimental

Single crystals of Cs₆Mo₂₇S₃₁ were prepared from a mixture of Cs₂MoS₄, MoS₂ and Mo with an overall composition Cs₉Mo₄₂S₄₈. All handlings of the materials were done in an argon-filled glove box. The initial mixture (ca 5 g) was cold pressed and loaded into a molybdenum crucible, which was sealed under a low argon pressure using an arc welding system. The charge was heated at the rate of 300 K/h up to 1773 K, held at that temperature for 48 h, then cooled at 100 K/h down to 1373 K, and finally furnace cooled. The product of the reaction appeared to be homogeneous and contained black and well faceted single crystals that were extracted by hand.

S3. Refinement

The highest residual peak was located at 0.92 Å from Cs1 and the deepest hole at 0.58 Å from Cs3.

Computing details

Data collection: COLLECT (Nonius, 1998); cell refinement: COLLECT; data reduction: EVALCCD (Duisenberg, 1998); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Bergerhoff, 1996); software used to prepare material for publication: SHELXL97.

Figures

	Fig. 1. : View of the Cs6Mo27S31 structure along [110].
	Fig. 2. : Structure diagram showing the atom numbering scheme and the linkage of the Mo9S11S6 and Mo18S20S6 cluster units. Displacement ellipsoids are drawn at the 97% probability level.
	Fig. 3. : Coordination environments of the Cs^+ ions.

(I)

Crystal data

Cs6Mo27S31	Dx = 5.136 Mg m^−3
Mr = 4381.70	Mo Kα radiation, λ = 0.71069 Å
Hexagonal, R3c	Cell parameters from 94508 reflections
Hall symbol: -R 32"c	θ = 2.6–40.3°
a = 9.44240 (5) Å	µ = 10.69 mm^−1
c = 110.0790 (7) Å	T = 293 K
V = 8499.62 (8) Å^3	Irregular block, black
Z = 6	0.20 × 0.17 × 0.14 mm
F(000) = 11760

Data collection

Nonius KappaCCD diffractometer	5858 independent reflections
Radiation source: fine-focus sealed tube	4683 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.051
ϕ scans (κ = 0) + additional ω scans	θmax = 40.0°, θmin = 2.5°
Absorption correction: analytical (de Meulenaar & Tompa, 1965)	h = −17→17
Tmin = 0.275, Tmax = 0.454	k = −17→14
85183 measured reflections	l = −198→198

Refinement

Refinement on F^2	Primary atom site location: isomorphous structure methods
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0133P)^2 + 67.7286P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.027	(Δ/σ)max = 0.001
wR(F^2) = 0.048	Δρmax = 2.46 e Å^−3
S = 1.12	Δρmin = −2.81 e Å^−3
5858 reflections	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
99 parameters	Extinction coefficient: 0.000148 (2)
0 restraints

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	1.0000	0.0000	0.097360 (2)	0.01621 (5)
Cs2	0.3333	−0.3333	0.029348 (3)	0.02552 (6)
Cs3	0.6667	−0.6667	0.013497 (3)	0.02211 (6)
Mo1	0.82709 (2)	−0.49990 (2)	0.062627 (2)	0.00742 (3)
Mo2	0.83130 (3)	−0.6667	0.0833	0.00712 (4)
Mo3	0.85087 (2)	−0.17080 (2)	0.050467 (2)	0.00762 (3)
Mo4	0.82795 (2)	−0.01777 (2)	0.029945 (2)	0.00694 (3)
Mo5	0.84747 (2)	−0.17197 (2)	0.010149 (2)	0.00662 (3)
S1	0.97032 (6)	−0.65284 (7)	0.064611 (5)	0.00931 (8)
S2	0.96840 (8)	−0.36493 (8)	0.0833	0.01070 (12)
S3	1.03958 (7)	−0.28266 (6)	0.048894 (5)	0.00937 (8)
S4	0.71598 (6)	−0.31782 (7)	0.030349 (5)	0.01014 (8)
S5	0.67770 (6)	−0.03843 (7)	0.009886 (5)	0.01013 (9)
S6	0.6667	−0.6667	0.045778 (8)	0.01089 (14)
S7	1.0000	0.0000	0.067313 (8)	0.01136 (15)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cs1	0.01508 (6)	0.01508 (6)	0.01846 (11)	0.00754 (3)	0.000	0.000
Cs2	0.01904 (8)	0.01904 (8)	0.03849 (18)	0.00952 (4)	0.000	0.000
Cs3	0.01917 (8)	0.01917 (8)	0.02799 (14)	0.00958 (4)	0.000	0.000
Mo1	0.00794 (7)	0.00843 (7)	0.00624 (7)	0.00437 (5)	0.00045 (5)	−0.00019 (5)
Mo2	0.00786 (7)	0.00803 (9)	0.00554 (9)	0.00401 (5)	−0.00045 (3)	−0.00090 (7)
Mo3	0.00821 (7)	0.00871 (7)	0.00598 (6)	0.00426 (5)	0.00057 (5)	0.00035 (5)
Mo4	0.00769 (7)	0.00791 (6)	0.00520 (6)	0.00389 (5)	0.00044 (5)	−0.00015 (5)
Mo5	0.00743 (6)	0.00715 (6)	0.00502 (6)	0.00346 (5)	0.00010 (5)	−0.00004 (5)
S1	0.00871 (19)	0.0103 (2)	0.0095 (2)	0.00514 (16)	0.00058 (16)	−0.00157 (16)
S2	0.0092 (2)	0.0092 (2)	0.0111 (3)	0.0026 (2)	0.00084 (12)	−0.00084 (12)
S3	0.0108 (2)	0.00938 (19)	0.0086 (2)	0.00555 (17)	0.00115 (16)	0.00200 (15)
S4	0.0096 (2)	0.0091 (2)	0.0094 (2)	0.00293 (16)	0.00070 (16)	0.00046 (16)
S5	0.00867 (19)	0.0137 (2)	0.0090 (2)	0.00630 (17)	0.00011 (16)	−0.00016 (17)
S6	0.0134 (2)	0.0134 (2)	0.0059 (3)	0.00670 (11)	0.000	0.000
S7	0.0139 (2)	0.0139 (2)	0.0063 (3)	0.00694 (11)	0.000	0.000

Geometric parameters (Å, º)

Cs1—S1^i	3.2828 (5)	Mo2—Mo2^ix	2.6925 (4)
Cs1—S1^ii	3.2828 (5)	Mo2—Mo1^ii	2.7311 (2)
Cs1—S1^iii	3.2829 (5)	Mo2—Mo2^ix	2.6925 (4)
Cs1—S7	3.3076 (9)	Mo2—Mo1^xi	2.7313 (2)
Cs1—S2	3.6495 (4)	Mo2—Mo1^xvi	2.7818 (2)
Cs1—S2^iv	3.6495 (4)	Mo2—Mo1^xvii	3.8474 (3)
Cs1—S2^v	3.6495 (4)	Mo2—Mo1^ix	3.8476 (3)
Cs1—S3^i	3.7812 (6)	Mo3—S7	2.3982 (7)
Cs1—S3^iii	3.7812 (6)	Mo3—S1^ix	2.4632 (5)
Cs1—S3^ii	3.7813 (6)	Mo3—S3	2.4905 (6)
Cs1—Mo1^i	4.2832 (2)	Mo3—S3^v	2.5025 (6)
Cs1—Mo1^iii	4.2832 (2)	Mo3—S4	2.5857 (6)
Cs2—S4^vi	3.5439 (6)	Mo3—Mo3^iv	2.6341 (3)
Cs2—S4^vii	3.5439 (6)	Mo3—Mo3^v	2.6341 (3)
Cs2—S4	3.5439 (6)	Mo3—Mo4^iv	2.7139 (2)
Cs2—S5^vi	3.7232 (6)	Mo3—Mo4	2.7479 (2)
Cs2—S5^vii	3.7232 (6)	Mo4—S4^v	2.4711 (6)
Cs2—S5	3.7232 (6)	Mo4—S3^v	2.4723 (5)
Cs2—S3^v	3.7255 (6)	Mo4—S4	2.4802 (6)
Cs2—S3^viii	3.7255 (6)	Mo4—S5	2.5787 (6)
Cs2—S3^ix	3.7255 (6)	Mo4—Mo5^v	2.6634 (2)
Cs2—Mo4^vi	4.0962 (2)	Mo4—Mo5	2.6779 (2)
Cs2—Mo4	4.0962 (2)	Mo4—Mo4^v	2.6804 (3)
Cs2—Mo4^vii	4.0962 (2)	Mo4—Mo4^iv	2.6804 (3)
Cs3—S6	3.5535 (9)	Mo4—Mo3^v	2.7139 (2)
Cs3—S5^x	3.5857 (6)	Mo5—S5	2.4863 (6)
Cs3—S5^iv	3.5857 (6)	Mo5—S5^iv	2.5047 (6)
Cs3—S5^vii	3.5857 (6)	Mo5—S5^xiv	2.5800 (6)
Cs3—S4^xi	3.6020 (6)	Mo5—S4	2.5831 (6)
Cs3—S4^ix	3.6020 (6)	Mo5—Mo4^iv	2.6634 (2)
Cs3—S4	3.6020 (6)	Mo5—Mo5^iv	2.6679 (3)
Cs3—S5^xii	3.9872 (6)	Mo5—Mo5^v	2.6679 (3)
Cs3—S5^xiii	3.9872 (6)	Mo5—Mo5^xiv	2.7139 (3)
Cs3—S5^xiv	3.9872 (6)	Mo5—Mo5^xviii	2.7139 (3)
Cs3—Mo5^xi	4.1104 (2)	S1—Mo1^xi	2.4529 (6)
Cs3—Mo5^ix	4.1104 (2)	S1—Mo3^xi	2.4632 (5)
Mo1—S6	2.4143 (7)	S1—Cs1^xv	3.2828 (5)
Mo1—S1	2.4322 (6)	S2—Mo2^ix	2.4708 (6)
Mo1—S1^ix	2.4529 (6)	S2—Mo1^ii	2.6265 (4)
Mo1—S3	2.5303 (6)	S2—Cs1^xv	3.6496 (4)
Mo1—S2	2.6267 (4)	S3—Mo4^iv	2.4723 (5)
Mo1—Mo1^xi	2.6771 (3)	S3—Mo3^iv	2.5025 (6)
Mo1—Mo1^ix	2.6771 (3)	S3—Cs2^xix	3.7255 (6)
Mo1—Mo2^ix	2.7313 (2)	S3—Cs1^xv	3.7813 (6)
Mo1—Mo2	2.7820 (2)	S4—Mo4^iv	2.4711 (6)
Mo1—Mo3	3.2864 (2)	S5—Mo5^v	2.5047 (6)
Mo1—Mo2^xi	3.8476 (3)	S5—Mo5^xviii	2.5800 (6)
Mo1—Cs1^xv	4.2832 (2)	S5—Cs3^xx	3.5857 (6)
Mo2—S1^xvi	2.4115 (5)	S5—Cs3^xii	3.9872 (6)
Mo2—S1	2.4117 (5)	S6—Mo1^xi	2.4143 (7)
Mo2—S2^xi	2.4708 (6)	S6—Mo1^ix	2.4143 (7)
Mo2—S2	2.4708 (6)	S7—Mo3^iv	2.3982 (7)
Mo2—Mo2^xi	2.6925 (4)	S7—Mo3^v	2.3982 (7)
S1^i—Cs1—S1^ii	117.572 (5)	S2^xi—Mo2—Mo1^xi	60.407 (5)
S1^i—Cs1—S1^iii	117.571 (5)	S2—Mo2—Mo1^xi	117.738 (6)
S1^ii—Cs1—S1^iii	117.570 (5)	Mo2^xi—Mo2—Mo1^xi	61.712 (6)
S1^i—Cs1—S7	99.055 (10)	Mo2^ix—Mo2—Mo1^xi	90.367 (6)
S1^ii—Cs1—S7	99.055 (10)	Mo1^ii—Mo2—Mo1^xi	148.681 (12)
S1^iii—Cs1—S7	99.055 (10)	S1^xvi—Mo2—Mo1^xvi	55.298 (13)
S1^i—Cs1—S2	161.012 (12)	S1—Mo2—Mo1^xvi	151.271 (14)
S1^ii—Cs1—S2	58.809 (13)	S2^xi—Mo2—Mo1^xvi	59.654 (5)
S1^iii—Cs1—S2	76.823 (13)	S2—Mo2—Mo1^xvi	118.290 (6)
S7—Cs1—S2	64.971 (5)	Mo2^xi—Mo2—Mo1^xvi	59.827 (6)
S1^i—Cs1—S2^iv	76.823 (13)	Mo2^ix—Mo2—Mo1^xvi	89.292 (6)
S1^ii—Cs1—S2^iv	161.012 (12)	Mo1^ii—Mo2—Mo1^xvi	58.097 (7)
S1^iii—Cs1—S2^iv	58.810 (13)	Mo1^xi—Mo2—Mo1^xvi	111.594 (7)
S7—Cs1—S2^iv	64.971 (5)	S1^xvi—Mo2—Mo1	151.273 (14)
S2—Cs1—S2^iv	103.385 (6)	S1—Mo2—Mo1	55.293 (13)
S1^i—Cs1—S2^v	58.810 (13)	S2^xi—Mo2—Mo1	118.287 (6)
S1^ii—Cs1—S2^v	76.824 (13)	S2—Mo2—Mo1	59.658 (5)
S1^iii—Cs1—S2^v	161.012 (12)	Mo2^xi—Mo2—Mo1	89.291 (6)
S7—Cs1—S2^v	64.971 (5)	Mo2^ix—Mo2—Mo1	59.829 (6)
S2—Cs1—S2^v	103.385 (6)	Mo1^ii—Mo2—Mo1	111.595 (7)
S2^iv—Cs1—S2^v	103.385 (6)	Mo1^xi—Mo2—Mo1	58.091 (7)
S1^i—Cs1—S3^i	61.826 (13)	Mo1^xvi—Mo2—Mo1	145.408 (12)
S1^ii—Cs1—S3^i	59.410 (12)	S1^xvi—Mo2—Mo1^xvii	84.901 (13)
S1^iii—Cs1—S3^i	134.468 (15)	S1—Mo2—Mo1^xvii	157.256 (15)
S7—Cs1—S3^i	126.454 (9)	S2^xi—Mo2—Mo1^xvii	88.343 (9)
S2—Cs1—S3^i	118.217 (13)	S2—Mo2—Mo1^xvii	86.799 (9)
S2^iv—Cs1—S3^i	137.902 (11)	Mo2^xi—Mo2—Mo1^xvii	46.300 (3)
S2^v—Cs1—S3^i	62.571 (8)	Mo2^ix—Mo2—Mo1^xvii	45.222 (3)
S1^i—Cs1—S3^iii	59.410 (13)	Mo1^ii—Mo2—Mo1^xvii	44.089 (5)
S1^ii—Cs1—S3^iii	134.468 (15)	Mo1^xi—Mo2—Mo1^xvii	106.464 (9)
S1^iii—Cs1—S3^iii	61.826 (13)	Mo1^xvi—Mo2—Mo1^xvii	44.092 (5)
S7—Cs1—S3^iii	126.454 (9)	Mo1—Mo2—Mo1^xvii	103.842 (8)
S2—Cs1—S3^iii	137.901 (11)	S1^xvi—Mo2—Mo1^ix	157.263 (15)
S2^iv—Cs1—S3^iii	62.571 (8)	S1—Mo2—Mo1^ix	84.894 (13)
S2^v—Cs1—S3^iii	118.218 (13)	S2^xi—Mo2—Mo1^ix	86.798 (9)
S3^i—Cs1—S3^iii	88.306 (13)	S2—Mo2—Mo1^ix	88.344 (9)
S1^i—Cs1—S3^ii	134.469 (15)	Mo2^xi—Mo2—Mo1^ix	45.224 (3)
S1^ii—Cs1—S3^ii	61.825 (13)	Mo2^ix—Mo2—Mo1^ix	46.302 (3)
S1^iii—Cs1—S3^ii	59.409 (13)	Mo1^ii—Mo2—Mo1^ix	106.465 (9)
S7—Cs1—S3^ii	126.454 (9)	Mo1^xi—Mo2—Mo1^ix	44.086 (5)
S2—Cs1—S3^ii	62.571 (8)	Mo1^xvi—Mo2—Mo1^ix	103.843 (8)
S2^iv—Cs1—S3^ii	118.217 (13)	Mo1—Mo2—Mo1^ix	44.089 (5)
S2^v—Cs1—S3^ii	137.902 (11)	Mo1^xvii—Mo2—Mo1^ix	72.677 (7)
S3^i—Cs1—S3^ii	88.305 (13)	S7—Mo3—S1^ix	90.06 (2)
S3^iii—Cs1—S3^ii	88.305 (13)	S7—Mo3—S3	92.003 (14)
S1^i—Cs1—Mo1^i	34.388 (10)	S1^ix—Mo3—S3	97.500 (18)
S1^ii—Cs1—Mo1^i	83.710 (9)	S7—Mo3—S3^v	91.707 (14)
S1^iii—Cs1—Mo1^i	148.626 (11)	S1^ix—Mo3—S3^v	90.515 (18)
S7—Cs1—Mo1^i	99.882 (4)	S3—Mo3—S3^v	171.16 (2)
S2—Cs1—Mo1^i	134.155 (9)	S7—Mo3—S4	171.60 (2)
S2^iv—Cs1—Mo1^i	108.265 (10)	S1^ix—Mo3—S4	98.146 (18)
S2^v—Cs1—Mo1^i	37.609 (7)	S3—Mo3—S4	88.714 (19)
S3^i—Cs1—Mo1^i	35.893 (8)	S3^v—Mo3—S4	86.457 (18)
S3^iii—Cs1—Mo1^i	86.800 (9)	S7—Mo3—Mo3^iv	56.689 (11)
S3^ii—Cs1—Mo1^i	124.058 (10)	S1^ix—Mo3—Mo3^iv	134.486 (14)
S1^i—Cs1—Mo1^iii	83.709 (10)	S3—Mo3—Mo3^iv	58.381 (15)
S1^ii—Cs1—Mo1^iii	148.624 (11)	S3^v—Mo3—Mo3^iv	117.778 (14)
S1^iii—Cs1—Mo1^iii	34.388 (9)	S4—Mo3—Mo3^iv	117.229 (13)
S7—Cs1—Mo1^iii	99.882 (4)	S7—Mo3—Mo3^v	56.689 (11)
S2—Cs1—Mo1^iii	108.265 (10)	S1^ix—Mo3—Mo3^v	129.561 (14)
S2^iv—Cs1—Mo1^iii	37.610 (7)	S3—Mo3—Mo3^v	118.221 (15)
S2^v—Cs1—Mo1^iii	134.155 (9)	S3^v—Mo3—Mo3^v	57.937 (14)
S3^i—Cs1—Mo1^iii	124.058 (10)	S4—Mo3—Mo3^v	115.828 (13)
S3^iii—Cs1—Mo1^iii	35.893 (8)	Mo3^iv—Mo3—Mo3^v	60.0
S3^ii—Cs1—Mo1^iii	86.799 (9)	S7—Mo3—Mo4^iv	118.435 (14)
Mo1^i—Cs1—Mo1^iii	117.118 (2)	S1^ix—Mo3—Mo4^iv	139.569 (15)
S4^vi—Cs2—S4^vii	119.904 (1)	S3—Mo3—Mo4^iv	56.528 (13)
S4^vi—Cs2—S4	119.904 (1)	S3^v—Mo3—Mo4^iv	114.721 (14)
S4^vii—Cs2—S4	119.904 (1)	S4—Mo3—Mo4^iv	55.522 (13)
S4^vi—Cs2—S5^vi	59.726 (12)	Mo3^iv—Mo3—Mo4^iv	61.816 (6)
S4^vii—Cs2—S5^vi	74.579 (12)	Mo3^v—Mo3—Mo4^iv	90.853 (5)
S4—Cs2—S5^vi	145.458 (16)	S7—Mo3—Mo4	117.140 (14)
S4^vi—Cs2—S5^vii	145.458 (16)	S1^ix—Mo3—Mo4	134.965 (15)
S4^vii—Cs2—S5^vii	59.726 (12)	S3—Mo3—Mo4	115.279 (14)
S4—Cs2—S5^vii	74.579 (12)	S3^v—Mo3—Mo4	55.948 (13)
S5^vi—Cs2—S5^vii	90.193 (13)	S4—Mo3—Mo4	55.322 (13)
S4^vi—Cs2—S5	74.579 (12)	Mo3^iv—Mo3—Mo4	90.107 (5)
S4^vii—Cs2—S5	145.458 (16)	Mo3^v—Mo3—Mo4	60.519 (6)
S4—Cs2—S5	59.726 (12)	Mo4^iv—Mo3—Mo4	58.776 (8)
S5^vi—Cs2—S5	90.193 (13)	S7—Mo3—Mo1	93.469 (12)
S5^vii—Cs2—S5	90.193 (13)	S1^ix—Mo3—Mo1	47.915 (13)
S4^vi—Cs2—S3^v	72.626 (12)	S3—Mo3—Mo1	49.642 (13)
S4^vii—Cs2—S3^v	141.805 (16)	S3^v—Mo3—Mo1	138.041 (14)
S4—Cs2—S3^v	57.237 (12)	S4—Mo3—Mo1	93.368 (14)
S5^vi—Cs2—S3^v	131.924 (11)	Mo3^iv—Mo3—Mo1	99.496 (9)
S5^vii—Cs2—S3^v	131.618 (11)	Mo3^v—Mo3—Mo1	149.364 (6)
S5—Cs2—S3^v	70.405 (12)	Mo4^iv—Mo3—Mo1	99.007 (7)
S4^vi—Cs2—S3^viii	57.237 (12)	Mo4—Mo3—Mo1	147.773 (8)
S4^vii—Cs2—S3^viii	72.626 (12)	S4^v—Mo4—S3^v	91.786 (19)
S4—Cs2—S3^viii	141.805 (16)	S4^v—Mo4—S4	174.069 (18)
S5^vi—Cs2—S3^viii	70.405 (12)	S3^v—Mo4—S4	89.461 (19)
S5^vii—Cs2—S3^viii	131.924 (11)	S4^v—Mo4—S5	93.216 (19)
S5—Cs2—S3^viii	131.618 (11)	S3^v—Mo4—S5	116.434 (18)
S3^v—Cs2—S3^viii	89.982 (13)	S4—Mo4—S5	91.419 (18)
S4^vi—Cs2—S3^ix	141.805 (16)	S4^v—Mo4—Mo5^v	60.271 (14)
S4^vii—Cs2—S3^ix	57.237 (12)	S3^v—Mo4—Mo5^v	148.786 (15)
S4—Cs2—S3^ix	72.626 (12)	S4—Mo4—Mo5^v	119.820 (15)
S5^vi—Cs2—S3^ix	131.618 (11)	S5—Mo4—Mo5^v	57.058 (13)
S5^vii—Cs2—S3^ix	70.405 (12)	S4^v—Mo4—Mo5	120.091 (15)
S5—Cs2—S3^ix	131.924 (11)	S3^v—Mo4—Mo5	146.493 (15)
S3^v—Cs2—S3^ix	89.982 (13)	S4—Mo4—Mo5	59.958 (14)
S3^viii—Cs2—S3^ix	89.982 (13)	S5—Mo4—Mo5	56.420 (13)
S4^vi—Cs2—Mo4^vi	37.001 (9)	Mo5^v—Mo4—Mo5	59.931 (8)
S4^vii—Cs2—Mo4^vi	82.974 (9)	S4^v—Mo4—Mo4^v	57.389 (15)
S4—Cs2—Mo4^vi	156.847 (9)	S3^v—Mo4—Mo4^v	118.389 (13)
S5^vi—Cs2—Mo4^vi	38.135 (9)	S4—Mo4—Mo4^v	117.049 (15)
S5^vii—Cs2—Mo4^vi	124.764 (10)	S5—Mo4—Mo4^v	117.106 (13)
S5—Cs2—Mo4^vi	104.126 (9)	Mo5^v—Mo4—Mo4^v	60.147 (6)
S3^v—Cs2—Mo4^vi	103.169 (9)	Mo5—Mo4—Mo4^v	89.710 (5)
S3^viii—Cs2—Mo4^vi	36.464 (8)	S4^v—Mo4—Mo4^iv	117.379 (15)
S3^ix—Cs2—Mo4^vi	123.273 (10)	S3^v—Mo4—Mo4^iv	116.973 (14)
S4^vi—Cs2—Mo4	82.974 (9)	S4—Mo4—Mo4^iv	57.059 (15)
S4^vii—Cs2—Mo4	156.847 (9)	S5—Mo4—Mo4^iv	116.008 (13)
S4—Cs2—Mo4	37.001 (9)	Mo5^v—Mo4—Mo4^iv	90.019 (5)
S5^vi—Cs2—Mo4	124.764 (10)	Mo5—Mo4—Mo4^iv	59.612 (6)
S5^vii—Cs2—Mo4	104.126 (9)	Mo4^v—Mo4—Mo4^iv	60.0
S5—Cs2—Mo4	38.135 (9)	S4^v—Mo4—Mo3^v	59.607 (14)
S3^v—Cs2—Mo4	36.464 (8)	S3^v—Mo4—Mo3^v	57.170 (14)
S3^viii—Cs2—Mo4	123.273 (10)	S4—Mo4—Mo3^v	116.668 (15)
S3^ix—Cs2—Mo4	103.169 (9)	S5—Mo4—Mo3^v	149.886 (15)
Mo4^vi—Cs2—Mo4	120.0	Mo5^v—Mo4—Mo3^v	111.249 (8)
S4^vi—Cs2—Mo4^vii	156.847 (9)	Mo5—Mo4—Mo3^v	146.599 (9)
S4^vii—Cs2—Mo4^vii	37.001 (9)	Mo4^v—Mo4—Mo3^v	61.246 (6)
S4—Cs2—Mo4^vii	82.974 (9)	Mo4^iv—Mo4—Mo3^v	89.870 (5)
S5^vi—Cs2—Mo4^vii	104.126 (9)	S4^v—Mo4—Mo3	117.163 (15)
S5^vii—Cs2—Mo4^vii	38.135 (9)	S3^v—Mo4—Mo3	56.997 (13)
S5—Cs2—Mo4^vii	124.764 (10)	S4—Mo4—Mo3	59.017 (14)
S3^v—Cs2—Mo4^vii	123.273 (10)	S5—Mo4—Mo3	148.121 (15)
S3^viii—Cs2—Mo4^vii	103.169 (9)	Mo5^v—Mo4—Mo3	145.998 (9)
S3^ix—Cs2—Mo4^vii	36.464 (8)	Mo5—Mo4—Mo3	109.762 (8)
Mo4^vi—Cs2—Mo4^vii	120.0	Mo4^v—Mo4—Mo3	89.149 (5)
Mo4—Cs2—Mo4^vii	120.0	Mo4^iv—Mo4—Mo3	59.979 (6)
S6—Cs3—S5^x	96.364 (10)	Mo3^v—Mo4—Mo3	57.665 (8)
S6—Cs3—S5^iv	96.364 (10)	S4^v—Mo4—Cs2	126.292 (14)
S5^x—Cs3—S5^iv	118.788 (4)	S3^v—Mo4—Cs2	63.580 (14)
S6—Cs3—S5^vii	96.364 (10)	S4—Mo4—Cs2	59.308 (13)
S5^x—Cs3—S5^vii	118.788 (4)	S5—Mo4—Cs2	63.075 (13)
S5^iv—Cs3—S5^vii	118.788 (4)	Mo5^v—Mo4—Cs2	120.131 (8)
S6—Cs3—S4^xi	59.001 (10)	Mo5—Mo4—Cs2	87.410 (7)
S5^x—Cs3—S4^xi	61.411 (12)	Mo4^v—Mo4—Cs2	176.219 (9)
S5^iv—Cs3—S4^xi	75.593 (12)	Mo4^iv—Mo4—Cs2	116.329 (9)
S5^vii—Cs3—S4^xi	153.974 (15)	Mo3^v—Mo4—Cs2	120.728 (8)
S6—Cs3—S4^ix	59.001 (10)	Mo3—Mo4—Cs2	89.519 (7)
S5^x—Cs3—S4^ix	75.593 (12)	S5—Mo5—S5^iv	175.186 (17)
S5^iv—Cs3—S4^ix	153.974 (15)	S5—Mo5—S5^xiv	90.839 (14)
S5^vii—Cs3—S4^ix	61.411 (12)	S5^iv—Mo5—S5^xiv	90.425 (14)
S4^xi—Cs3—S4^ix	95.862 (13)	S5—Mo5—S4	91.177 (18)
S6—Cs3—S4	59.001 (10)	S5^iv—Mo5—S4	92.322 (18)
S5^x—Cs3—S4	153.974 (15)	S5^xiv—Mo5—S4	118.155 (18)
S5^iv—Cs3—S4	61.411 (12)	S5—Mo5—Mo4^iv	119.991 (15)
S5^vii—Cs3—S4	75.593 (12)	S5^iv—Mo5—Mo4^iv	59.768 (13)
S4^xi—Cs3—S4	95.862 (13)	S5^xiv—Mo5—Mo4^iv	147.452 (15)
S4^ix—Cs3—S4	95.862 (13)	S4—Mo5—Mo4^iv	56.172 (13)
S6—Cs3—S5^xii	130.207 (8)	S5—Mo5—Mo5^iv	118.019 (15)
S5^x—Cs3—S5^xii	69.970 (13)	S5^iv—Mo5—Mo5^iv	57.354 (15)
S5^iv—Cs3—S5^xii	132.683 (10)	S5^xiv—Mo5—Mo5^iv	116.488 (13)
S5^vii—Cs3—S5^xii	56.628 (14)	S4—Mo5—Mo5^iv	116.374 (13)
S4^xi—Cs3—S5^xii	131.381 (11)	Mo4^iv—Mo5—Mo5^iv	60.304 (6)
S4^ix—Cs3—S5^xii	71.206 (12)	S5—Mo5—Mo5^v	58.023 (15)
S4—Cs3—S5^xii	131.187 (12)	S5^iv—Mo5—Mo5^v	117.350 (15)
S6—Cs3—S5^xiii	130.207 (8)	S5^xiv—Mo5—Mo5^v	116.917 (13)
S5^x—Cs3—S5^xiii	56.628 (14)	S4—Mo5—Mo5^v	115.923 (13)
S5^iv—Cs3—S5^xiii	69.970 (13)	Mo4^iv—Mo5—Mo5^v	90.289 (5)
S5^vii—Cs3—S5^xiii	132.683 (10)	Mo5^iv—Mo5—Mo5^v	60.0
S4^xi—Cs3—S5^xiii	71.206 (12)	S5—Mo5—Mo4	59.775 (13)
S4^ix—Cs3—S5^xiii	131.187 (12)	S5^iv—Mo5—Mo4	119.904 (14)
S4—Cs3—S5^xiii	131.381 (11)	S5^xiv—Mo5—Mo4	148.205 (15)
S5^xii—Cs3—S5^xiii	82.813 (13)	S4—Mo5—Mo4	56.221 (13)
S6—Cs3—S5^xiv	130.207 (8)	Mo4^iv—Mo5—Mo4	60.241 (8)
S5^x—Cs3—S5^xiv	132.683 (10)	Mo5^iv—Mo5—Mo4	89.978 (5)
S5^iv—Cs3—S5^xiv	56.628 (14)	Mo5^v—Mo5—Mo4	59.765 (6)
S5^vii—Cs3—S5^xiv	69.970 (13)	S5—Mo5—Mo5^xiv	118.151 (14)
S4^xi—Cs3—S5^xiv	131.187 (12)	S5^iv—Mo5—Mo5^xiv	59.097 (13)
S4^ix—Cs3—S5^xiv	131.381 (11)	S5^xiv—Mo5—Mo5^xiv	55.954 (14)
S4—Cs3—S5^xiv	71.206 (12)	S4—Mo5—Mo5^xiv	148.939 (14)
S5^xii—Cs3—S5^xiv	82.813 (13)	Mo4^iv—Mo5—Mo5^xiv	110.323 (7)
S5^xiii—Cs3—S5^xiv	82.813 (13)	Mo5^iv—Mo5—Mo5^xiv	60.560 (4)
S6—Cs3—Mo5^xi	95.143 (5)	Mo5^v—Mo5—Mo5^xiv	90.0
S5^x—Cs3—Mo5^xi	37.203 (9)	Mo4—Mo5—Mo5^xiv	146.588 (7)
S5^iv—Cs3—Mo5^xi	82.123 (9)	S5—Mo5—Mo5^xviii	59.298 (13)
S5^vii—Cs3—Mo5^xi	154.655 (10)	S5^iv—Mo5—Mo5^xviii	117.926 (14)
S4^xi—Cs3—Mo5^xi	38.428 (9)	S5^xiv—Mo5—Mo5^xviii	56.408 (14)
S4^ix—Cs3—Mo5^xi	106.635 (9)	S4—Mo5—Mo5^xviii	148.176 (14)
S4—Cs3—Mo5^xi	129.466 (10)	Mo4^iv—Mo5—Mo5^xviii	147.063 (7)
S5^xii—Cs3—Mo5^xi	99.073 (9)	Mo5^iv—Mo5—Mo5^xviii	90.0
S5^xiii—Cs3—Mo5^xi	37.119 (8)	Mo5^v—Mo5—Mo5^xviii	60.560 (4)
S5^xiv—Cs3—Mo5^xi	117.780 (10)	Mo4—Mo5—Mo5^xviii	109.884 (7)
S6—Cs3—Mo5^ix	95.143 (5)	Mo5^xiv—Mo5—Mo5^xviii	58.881 (8)
S5^x—Cs3—Mo5^ix	82.123 (9)	S5—Mo5—Cs3	124.795 (14)
S5^iv—Cs3—Mo5^ix	154.655 (10)	S5^iv—Mo5—Cs3	59.947 (13)
S5^vii—Cs3—Mo5^ix	37.203 (9)	S5^xiv—Mo5—Cs3	68.847 (13)
S4^xi—Cs3—Mo5^ix	129.466 (10)	S4—Mo5—Cs3	60.076 (13)
S4^ix—Cs3—Mo5^ix	38.428 (9)	Mo4^iv—Mo5—Cs3	83.834 (7)
S4—Cs3—Mo5^ix	106.635 (9)	Mo5^iv—Mo5—Cs3	116.976 (8)
S5^xii—Cs3—Mo5^ix	37.119 (8)	Mo5^v—Mo5—Cs3	174.094 (6)
S5^xiii—Cs3—Mo5^ix	117.780 (10)	Mo4—Mo5—Cs3	116.269 (8)
S5^xiv—Cs3—Mo5^ix	99.073 (9)	Mo5^xiv—Mo5—Cs3	92.588 (6)
Mo5^xi—Cs3—Mo5^ix	119.206 (2)	Mo5^xviii—Mo5—Cs3	125.243 (8)
S6—Mo1—S1	92.035 (14)	Mo2—S1—Mo1	70.104 (15)
S6—Mo1—S1^ix	91.529 (14)	Mo2—S1—Mo1^xi	68.308 (15)
S1—Mo1—S1^ix	167.72 (2)	Mo1—S1—Mo1^xi	66.461 (16)
S6—Mo1—S3	93.119 (19)	Mo2—S1—Mo3^xi	136.18 (2)
S1—Mo1—S3	94.822 (18)	Mo1—S1—Mo3^xi	129.14 (2)
S1^ix—Mo1—S3	96.718 (18)	Mo1^xi—S1—Mo3^xi	83.902 (17)
S6—Mo1—S2	169.71 (2)	Mo2—S1—Cs1^xv	101.842 (18)
S1—Mo1—S2	84.938 (13)	Mo1—S1—Cs1^xv	95.943 (17)
S1^ix—Mo1—S2	89.498 (14)	Mo1^xi—S1—Cs1^xv	161.69 (2)
S3—Mo1—S2	96.93 (2)	Mo3^xi—S1—Cs1^xv	112.509 (18)
S6—Mo1—Mo1^xi	56.329 (11)	Mo2^ix—S2—Mo2	66.03 (2)
S1—Mo1—Mo1^xi	57.140 (15)	Mo2^ix—S2—Mo1^ii	66.068 (15)
S1^ix—Mo1—Mo1^xi	116.135 (14)	Mo2—S2—Mo1^ii	64.710 (15)
S3—Mo1—Mo1^xi	133.522 (14)	Mo2^ix—S2—Mo1	64.713 (15)
S2—Mo1—Mo1^xi	114.268 (12)	Mo2—S2—Mo1	66.070 (15)
S6—Mo1—Mo1^ix	56.329 (11)	Mo1^ii—S2—Mo1	120.45 (3)
S1—Mo1—Mo1^ix	116.872 (15)	Mo2^ix—S2—Cs1	91.328 (5)
S1^ix—Mo1—Mo1^ix	56.399 (14)	Mo2—S2—Cs1	146.836 (15)
S3—Mo1—Mo1^ix	134.444 (14)	Mo1^ii—S2—Cs1	84.399 (6)
S2—Mo1—Mo1^ix	116.579 (13)	Mo1—S2—Cs1	127.381 (5)
Mo1^xi—Mo1—Mo1^ix	60.0	Mo2^ix—S2—Cs1^xv	146.833 (15)
S6—Mo1—Mo2^ix	118.131 (13)	Mo2—S2—Cs1^xv	91.328 (5)
S1—Mo1—Mo2^ix	113.057 (15)	Mo1^ii—S2—Cs1^xv	127.384 (5)
S1^ix—Mo1—Mo2^ix	55.131 (13)	Mo1—S2—Cs1^xv	84.392 (6)
S3—Mo1—Mo2^ix	135.774 (15)	Cs1—S2—Cs1^xv	118.28 (2)
S2—Mo1—Mo2^ix	54.880 (12)	Mo4^iv—S3—Mo3	66.301 (14)
Mo1^xi—Mo1—Mo2^ix	90.693 (6)	Mo4^iv—S3—Mo3^iv	67.056 (14)
Mo1^ix—Mo1—Mo2^ix	61.903 (5)	Mo3—S3—Mo3^iv	63.682 (15)
S6—Mo1—Mo2	116.238 (13)	Mo4^iv—S3—Mo1	132.44 (2)
S1—Mo1—Mo2	54.603 (14)	Mo3—S3—Mo1	81.767 (17)
S1^ix—Mo1—Mo2	113.452 (14)	Mo3^iv—S3—Mo1	128.77 (2)
S3—Mo1—Mo2	135.922 (15)	Mo4^iv—S3—Cs2^xix	79.957 (15)
S2—Mo1—Mo2	54.272 (12)	Mo3—S3—Cs2^xix	146.22 (2)
Mo1^xi—Mo1—Mo2	60.006 (5)	Mo3^iv—S3—Cs2^xix	102.385 (16)
Mo1^ix—Mo1—Mo2	89.606 (6)	Mo1—S3—Cs2^xix	125.480 (18)
Mo2^ix—Mo1—Mo2	58.458 (9)	Mo4^iv—S3—Cs1^xv	144.05 (2)
S6—Mo1—Mo3	91.594 (11)	Mo3—S3—Cs1^xv	137.56 (2)
S1—Mo1—Mo3	143.382 (15)	Mo3^iv—S3—Cs1^xv	97.517 (16)
S1^ix—Mo1—Mo3	48.183 (13)	Mo1—S3—Cs1^xv	82.932 (14)
S3—Mo1—Mo3	48.591 (13)	Cs2^xix—S3—Cs1^xv	71.731 (11)
S2—Mo1—Mo3	96.702 (11)	Mo4^iv—S4—Mo4	65.551 (15)
Mo1^xi—Mo1—Mo3	146.304 (7)	Mo4^iv—S4—Mo5	63.556 (14)
Mo1^ix—Mo1—Mo3	95.149 (8)	Mo4—S4—Mo5	63.821 (14)
Mo2^ix—Mo1—Mo3	97.026 (8)	Mo4^iv—S4—Mo3	64.871 (14)
Mo2—Mo1—Mo3	148.799 (7)	Mo4—S4—Mo3	65.661 (14)
S6—Mo1—Mo2^xi	86.526 (15)	Mo5—S4—Mo3	118.33 (2)
S1—Mo1—Mo2^xi	85.306 (13)	Mo4^iv—S4—Cs2	149.16 (2)
S1^ix—Mo1—Mo2^xi	83.180 (13)	Mo4—S4—Cs2	83.691 (16)
S3—Mo1—Mo2^xi	179.627 (15)	Mo5—S4—Cs2	101.746 (18)
S2—Mo1—Mo2^xi	83.433 (15)	Mo3—S4—Cs2	105.495 (18)
Mo1^xi—Mo1—Mo2^xi	46.305 (3)	Mo4^iv—S4—Cs3	98.257 (17)
Mo1^ix—Mo1—Mo2^xi	45.220 (3)	Mo4—S4—Cs3	145.26 (2)
Mo2^ix—Mo1—Mo2^xi	44.410 (7)	Mo5—S4—Cs3	81.496 (15)
Mo2—Mo1—Mo2^xi	44.407 (6)	Mo3—S4—Cs3	137.38 (2)
Mo3—Mo1—Mo2^xi	131.290 (6)	Cs2—S4—Cs3	106.453 (14)
S6—Mo1—Cs1^xv	126.328 (10)	Mo5—S5—Mo5^v	64.623 (15)
S1—Mo1—Cs1^xv	49.670 (13)	Mo5—S5—Mo4	63.805 (14)
S1^ix—Mo1—Cs1^xv	134.472 (14)	Mo5^v—S5—Mo4	63.174 (14)
S3—Mo1—Cs1^xv	61.175 (13)	Mo5—S5—Mo5^xviii	64.748 (14)
S2—Mo1—Cs1^xv	57.995 (10)	Mo5^v—S5—Mo5^xviii	64.496 (14)
Mo1^xi—Mo1—Cs1^xv	106.649 (8)	Mo4—S5—Mo5^xviii	117.64 (2)
Mo1^ix—Mo1—Cs1^xv	163.648 (7)	Mo5—S5—Cs3^xx	146.82 (2)
Mo2^ix—Mo1—Cs1^xv	111.870 (6)	Mo5^v—S5—Cs3^xx	82.850 (15)
Mo2—Mo1—Cs1^xv	74.814 (7)	Mo4—S5—Cs3^xx	96.616 (17)
Mo3—Mo1—Cs1^xv	100.756 (5)	Mo5^xviii—S5—Cs3^xx	108.118 (18)
Mo2^xi—Mo1—Cs1^xv	119.141 (5)	Mo5—S5—Cs2	99.058 (17)
S1^xvi—Mo2—S1	117.70 (3)	Mo5^v—S5—Cs2	141.96 (2)
S1^xvi—Mo2—S2^xi	88.877 (14)	Mo4—S5—Cs2	78.790 (14)
S1—Mo2—S2^xi	94.244 (14)	Mo5^xviii—S5—Cs2	142.02 (2)
S1^xvi—Mo2—S2	94.245 (14)	Cs3^xx—S5—Cs2	103.085 (13)
S1—Mo2—S2	88.878 (14)	Mo5—S5—Cs3^xii	99.252 (16)
S2^xi—Mo2—S2	173.97 (2)	Mo5^v—S5—Cs3^xii	138.513 (19)
S1^xvi—Mo2—Mo2^xi	115.122 (13)	Mo4—S5—Cs3^xii	146.24 (2)
S1—Mo2—Mo2^xi	118.123 (13)	Mo5^xviii—S5—Cs3^xii	74.033 (13)
S2^xi—Mo2—Mo2^xi	56.984 (11)	Cs3^xx—S5—Cs3^xii	110.030 (13)
S2—Mo2—Mo2^xi	116.984 (11)	Cs2—S5—Cs3^xii	75.335 (11)
S1^xvi—Mo2—Mo2^ix	118.127 (13)	Mo1—S6—Mo1^xi	67.34 (2)
S1—Mo2—Mo2^ix	115.119 (13)	Mo1—S6—Mo1^ix	67.34 (2)
S2^xi—Mo2—Mo2^ix	116.984 (11)	Mo1^xi—S6—Mo1^ix	67.34 (2)
S2—Mo2—Mo2^ix	56.984 (11)	Mo1—S6—Cs3	140.193 (14)
Mo2^xi—Mo2—Mo2^ix	60.0	Mo1^xi—S6—Cs3	140.193 (14)
S1^xvi—Mo2—Mo1^ii	56.566 (13)	Mo1^ix—S6—Cs3	140.193 (14)
S1—Mo2—Mo1^ii	146.124 (14)	Mo3—S7—Mo3^iv	66.62 (2)
S2^xi—Mo2—Mo1^ii	117.741 (6)	Mo3—S7—Mo3^v	66.62 (2)
S2—Mo2—Mo1^ii	60.405 (5)	Mo3^iv—S7—Mo3^v	66.62 (2)
Mo2^xi—Mo2—Mo1^ii	90.367 (6)	Mo3—S7—Cs1	140.644 (14)
Mo2^ix—Mo2—Mo1^ii	61.710 (6)	Mo3^iv—S7—Cs1	140.644 (14)
S1^xvi—Mo2—Mo1^xi	146.124 (14)	Mo3^v—S7—Cs1	140.644 (14)
S1—Mo2—Mo1^xi	56.561 (13)

Symmetry codes: (i) x−y−2/3, −y−1/3, −z+1/6; (ii) y+4/3, x−4/3, −z+1/6; (iii) −x+7/3, −x+y+5/3, −z+1/6; (iv) −y+1, x−y−1, z; (v) −x+y+2, −x+1, z; (vi) −y, x−y−1, z; (vii) −x+y+1, −x, z; (viii) x−1, y, z; (ix) −y, x−y−2, z; (x) x, y−1, z; (xi) −x+y+2, −x, z; (xii) −x+1, −y−1, −z; (xiii) y+1, −x+y, −z; (xiv) x−y, x−1, −z; (xv) x−y+1/3, −y−1/3, −z+1/6; (xvi) x−y−2/3, −y−4/3, −z+1/6; (xvii) −x+4/3, −x+y+2/3, −z+1/6; (xviii) y+1, −x+y+1, −z; (xix) x+1, y, z; (xx) x, y+1, z.