Cs₂[WS₄]

The title compound, dicaesium tetra­thio­tungstate(VI), was obtained from a dilute aqueous solution containing equimolar quanti­ties of Cs₂CO₃ and (NH₄)₂[WS₄]. The compound crystallizes in the ortho­rhom­bic space group Pnma and is isotypic with Cs₂[MoS₄], Rb₂[WS₄], (NH₄)₂[WS₄] and K₂[MoS₄]. The structure contains discrete slightly distorted tetra­hedral [WS₄]^2- anions (m symmetry), separated by Cs⁺ cations. One of the two unique Cs⁺ cations (both located on mirror planes) is surrounded by nine S atoms and the other by ten S atoms.

Key indicators

• Single-crystal X-ray study
• T = 170 K
• Mean [sigma](W-S) = 0.002 Å
• R factor = 0.027
• wR factor = 0.069
• Data-to-parameter ratio = 36.4

checkCIF/PLATON results

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Alert level G
PLAT794_ALERT_5_G Check Predicted Bond Valency for W1          (9)       6.76

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   0 ALERT level B = Potentially serious problem
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   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
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S1. Comment

As part of an ongoing research programme, we are investigating the synthesis and structural characterization of organic ammonium tetrathiometalates of the group VI metals Mo and W (Srinivasan et al., 2007). While several tetrathiotungstates containing organic ammonium cations are known (Srinivasan et al., 2007, and literature therein), the structures of only two tetrathiotungstates with inorganic counter cations, viz. Rb₂[WS₄] (Yao & Ibers, 2004) and (NH₄)₂[WS₄] (Srinivasan et al., 2004) are reported so far. Here we describe the structure of dicesium tetrathiotungstate(VI) (I) which is isotypic with the corresponding Mo compounds Cs₂[MoS₄] (Raymond et al., 1995), K₂[MoS₄] (Emirdag-Eanes & Ibers, 2001), Rb₂[MoS₄] (Ellermeier et al., 1999), and with the aforementioned Rb₂[WS₄] and (NH₄)₂[WS₄]. The lattice parameters of (I) are consistent with a previous determination from X-ray powder data (a = 10.05 Å, b = 7.24 Å, c = 12.85 Å and V = 935.4 ų; Müller & Sievert, 1974).

The structure of (I) consists of discrete tetrahedral [WS₄]^2- ions (m symmetry), separated by Cs⁺ cations (Fig. 1). The [WS₄] tetrahedron is slightly distorted with S—W—S angles between 108.86 (7) and 110.82 (8) ° (Table 1). The W—S bond lengths range from 2.1915 (12) to 2.2079 (18) Å with an average value of 2.196 Å which is comparable with the bond lengths ranging from 2.1710 (17) to 2.2053 (14) Å in the lighter homologue Rb₂[WS₄] (Yao & Ibers, 2004). Interestingly, the difference Δ between the longest and the shortest W—S bond of 0.0164 Å in (I) is comparable to the Δ value of 0.0134 Å in (NH₄)₂[WS₄] (Srinivasan et al., 2004), but much less than the Δ value of 0.0343 Å for the isotypic Rb₂[WS₄]. Two crystallographically independent Cs⁺ cations are present in the asymmetric unit and both are coordinated by S atoms leading to irregular polyhedra. The packing of the structure is illustrated in Fig. 2. The Cs1—S distances range from 3.451 (2) to 3.7072 (5) Å (average 3.579 Å) while the Cs2—S distances vary between 3.6564 (4) and 4.0448 (16) Å. The mean Cs2—S distance (3.799 Å) is significantly longer than the average Cs1—S distance. Cs1 is surrounded by six symmetry related [WS₄]^2- tetrahedra via nine S atoms (Fig. 3), while Cs2 is surrounded by five symmetry related [WS₄]^2- tetrahedra via ten S atoms.

Related literature

The title compound has previously been characterized by X-ray powder diffraction (Müller & Sievert, 1974). For isotypic structures see: Cs₂[MoS₄] (Raymond et al., 1995), K₂[MoS₄] (Emirdag-Eanes & Ibers, 2001), Rb₂[MoS₄] (Ellermeier et al., 1999), Rb₂[WS₄] (Yao & Ibers, 2004) and (NH₄)₂[WS₄] (Srinivasan et al., 2004). Various tetrathiotungstates with organic ammonium counter cations were characterized by Srinivasan et al. (2007).

S2. Experimental

The title compound was crystallized from a very dilute aqueous solution (90 ml) containing equimolar quantities of (NH₄)₂[WS₄] (174 mg, 0.5 mmol) and Cs₂CO₃ (163 mg, 0.5 mmol). It is to be noted that the use of more concentrated solutions leads to the formation of microcrystalline products. The crystals were filtered, washed with ice-cold water (2 ml), followed by 2-propanol (10 ml) and diethyl ether (10 ml), and air dried. The yield of the air stable yellow crystals was approximately 50%. The mid IR spectrum of (I) exhibits no signals above 500 cm^-1. The intense signal at 460 cm^-1 can be assigned to the triply degenerate asymmetric stretching vibration of the [WS₄]^2- tetrahedron. The Raman spectrum shows intense signals at 481 and 179 cm^-1 and a weak signal at 460 cm^-1, as expected for the tetrathiotungstate anion.

S3. Refinement

The largest peak in the residual electron density map is located at a distance of 0.68 Å from Cs2 and the deepest hole 0.78 Å from W1.

Computing details

Data collection: DIF4 (Stoe & Cie, 1998); cell refinement: DIF4; data reduction: REDU4 (Stoe & Cie, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 1999); software used to prepare material for publication: CIFTAB in SHELXTL (Bruker, 1998).

Figures

	Fig. 1. Part of the crystal structure of (I) showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level. [Symmetry code: (i) x, -y + 1/2, z]
	Fig. 2. A perspective view of the crystal packing of (I) along the b axis. Cs atoms are represented as blue spheres, W atoms as black spheres and S atoms as yellow spheres.
	Fig. 3. A view of the surroundings of the Cs1 cation showing Cs1 linked to six different [WS4]^2- units via nine S atoms (Cs···S distances are shown as dashed lines). [Symmetry codes: (ii) x - 1/2, y, -z + 1/2; (iii) -x + 3/2, y + 1/2, z - 1/2; (iv) -x + 3/2, -y, z - 1/2; (v) -x + 1, y + 1/2, -z + 1; (vi)-x + 1, -y, -z + 1; (vii) -x + 3/2, -y + 1, z - 1/2.]

dicaesium tetrathiotungstate(VI)

Crystal data

Cs2[WS4]	F(000) = 992
Mr = 577.91	Dx = 4.129 Mg m^−3
Orthorhombic, Pnma	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2n	Cell parameters from 8000 reflections
a = 10.0579 (9) Å	θ = 3.0–30.0°
b = 7.2362 (5) Å	µ = 20.95 mm^−1
c = 12.7740 (9) Å	T = 170 K
V = 929.70 (12) Å^3	Block, yellow
Z = 4	0.08 × 0.07 × 0.04 mm

Data collection

STOE IPDS 1 diffractometer	1492 independent reflections
Radiation source: fine-focus sealed tube	1322 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.060
φ–scans	θmax = 30.4°, θmin = 2.6°
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 1998)	h = −14→14
Tmin = 0.211, Tmax = 0.442	k = −10→10
11509 measured reflections	l = −17→17

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)] = 0.027	w = 1/[σ^2(Fo^2) + (0.0492P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.069	(Δ/σ)max = 0.001
S = 1.03	Δρmax = 2.31 e Å^−3
1492 reflections	Δρmin = −2.62 e Å^−3
41 parameters	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00164 (18)

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
W1	0.75191 (3)	0.2500	0.57843 (2)	0.00972 (10)
Cs1	0.53579 (4)	0.2500	0.16913 (3)	0.01439 (12)
Cs2	0.84172 (5)	0.2500	0.89664 (4)	0.01797 (12)
S1	0.7079 (2)	0.2500	0.41025 (14)	0.0169 (3)
S2	0.96862 (18)	0.2500	0.60598 (15)	0.0169 (3)
S3	0.66310 (14)	0.00367 (16)	0.64964 (12)	0.0186 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
W1	0.00771 (15)	0.00837 (14)	0.01308 (15)	0.000	0.00028 (8)	0.000
Cs1	0.0121 (2)	0.01475 (19)	0.0163 (2)	0.000	−0.00075 (15)	0.000
Cs2	0.0160 (2)	0.0149 (2)	0.0230 (2)	0.000	0.00236 (17)	0.000
S1	0.0167 (9)	0.0187 (8)	0.0153 (8)	0.000	−0.0041 (6)	0.000
S2	0.0094 (7)	0.0197 (8)	0.0215 (8)	0.000	−0.0022 (6)	0.000
S3	0.0164 (6)	0.0125 (5)	0.0268 (7)	−0.0011 (4)	0.0048 (5)	0.0056 (4)

Geometric parameters (Å, º)

W1—S3	2.1915 (12)	Cs2—S1^v	3.6564 (4)
W1—S3^i	2.1915 (12)	Cs2—S1^iv	3.6564 (4)
W1—S1	2.1935 (18)	Cs2—S3^xii	3.7170 (15)
W1—S2	2.2079 (18)	Cs2—S3^v	3.7170 (15)
W1—Cs2^ii	4.1380 (7)	Cs2—S3^xiii	3.7384 (14)
W1—Cs2	4.1640 (6)	Cs2—S3^xiv	3.7384 (14)
W1—Cs1^iii	4.2606 (6)	Cs2—S2^ii	3.7527 (19)
W1—Cs1^iv	4.3580 (4)	Cs2—S2	3.926 (2)
W1—Cs1^v	4.3580 (4)	Cs2—S3	4.0448 (16)
W1—Cs2^vi	4.4011 (4)	Cs2—S3^i	4.0448 (16)
W1—Cs2^vii	4.4011 (4)	Cs2—W1^xiv	4.1380 (7)
Cs1—S1^viii	3.451 (2)	S1—Cs1^iii	3.451 (2)
Cs1—S1	3.5331 (19)	S1—Cs2^vi	3.6564 (4)
Cs1—S3^ix	3.5502 (14)	S1—Cs2^vii	3.6564 (4)
Cs1—S3^vi	3.5502 (14)	S2—Cs1^iii	3.579 (2)
Cs1—S3^x	3.5680 (14)	S2—Cs1^iv	3.7072 (5)
Cs1—S3^xi	3.5680 (14)	S2—Cs1^v	3.7072 (5)
Cs1—S2^viii	3.579 (2)	S2—Cs2^xiv	3.7527 (19)
Cs1—S2^vi	3.7072 (5)	S3—Cs1^v	3.5502 (14)
Cs1—S2^vii	3.7072 (5)	S3—Cs1^xi	3.5680 (14)
Cs1—W1^viii	4.2606 (6)	S3—Cs2^vi	3.7170 (15)
Cs1—W1^vii	4.3580 (4)	S3—Cs2^ii	3.7384 (14)
Cs1—W1^vi	4.3580 (4)
S3—W1—S3^i	108.86 (7)	S3^x—Cs1—W1^vi	150.96 (2)
S3—W1—S1	108.92 (5)	S3^xi—Cs1—W1^vi	91.15 (2)
S3^i—W1—S1	108.92 (5)	S2^viii—Cs1—W1^vi	80.295 (18)
S3—W1—S2	109.65 (4)	S2^vi—Cs1—W1^vi	30.43 (3)
S3^i—W1—S2	109.65 (4)	S2^vii—Cs1—W1^vi	139.31 (3)
S1—W1—S2	110.82 (8)	W1^viii—Cs1—W1^vi	97.530 (9)
S3—W1—Cs2^ii	64.00 (4)	W1^vii—Cs1—W1^vi	112.242 (12)
S3^i—W1—Cs2^ii	64.00 (4)	S1^v—Cs2—S1^iv	163.39 (6)
S1—W1—Cs2^ii	82.76 (5)	S1^v—Cs2—S3^xii	116.46 (4)
S2—W1—Cs2^ii	166.41 (5)	S1^iv—Cs2—S3^xii	57.87 (3)
S3—W1—Cs2	71.53 (4)	S1^v—Cs2—S3^v	57.87 (3)
S3^i—W1—Cs2	71.53 (4)	S1^iv—Cs2—S3^v	116.46 (4)
S1—W1—Cs2	179.12 (6)	S3^xii—Cs2—S3^v	59.19 (4)
S2—W1—Cs2	68.30 (5)	S1^v—Cs2—S3^xiii	126.67 (4)
Cs2^ii—W1—Cs2	98.115 (10)	S1^iv—Cs2—S3^xiii	69.74 (4)
S3—W1—Cs1^iii	125.54 (4)	S3^xii—Cs2—S3^xiii	85.03 (4)
S3^i—W1—Cs1^iii	125.54 (4)	S3^v—Cs2—S3^xiii	112.60 (2)
S1—W1—Cs1^iii	53.73 (5)	S1^v—Cs2—S3^xiv	69.74 (4)
S2—W1—Cs1^iii	57.09 (5)	S1^iv—Cs2—S3^xiv	126.67 (4)
Cs2^ii—W1—Cs1^iii	136.492 (11)	S3^xii—Cs2—S3^xiv	112.60 (2)
Cs2—W1—Cs1^iii	125.393 (12)	S3^v—Cs2—S3^xiv	85.03 (4)
S3—W1—Cs1^iv	139.88 (4)	S3^xiii—Cs2—S3^xiv	56.95 (4)
S3^i—W1—Cs1^iv	54.13 (4)	S1^v—Cs2—S2^ii	82.19 (3)
S1—W1—Cs1^iv	111.06 (3)	S1^iv—Cs2—S2^ii	82.19 (3)
S2—W1—Cs1^iv	58.259 (13)	S3^xii—Cs2—S2^ii	89.70 (4)
Cs2^ii—W1—Cs1^iv	117.909 (7)	S3^v—Cs2—S2^ii	89.70 (4)
Cs2—W1—Cs1^iv	68.543 (7)	S3^xiii—Cs2—S2^ii	149.68 (2)
Cs1^iii—W1—Cs1^iv	82.470 (9)	S3^xiv—Cs2—S2^ii	149.68 (2)
S3—W1—Cs1^v	54.13 (4)	S1^v—Cs2—S2	95.12 (3)
S3^i—W1—Cs1^v	139.88 (4)	S1^iv—Cs2—S2	95.12 (3)
S1—W1—Cs1^v	111.06 (3)	S3^xii—Cs2—S2	145.74 (3)
S2—W1—Cs1^v	58.259 (13)	S3^v—Cs2—S2	145.74 (3)
Cs2^ii—W1—Cs1^v	117.909 (7)	S3^xiii—Cs2—S2	64.49 (3)
Cs2—W1—Cs1^v	68.543 (7)	S3^xiv—Cs2—S2	64.49 (3)
Cs1^iii—W1—Cs1^v	82.470 (8)	S2^ii—Cs2—S2	108.46 (3)
Cs1^iv—W1—Cs1^v	112.242 (12)	S1^v—Cs2—S3	62.64 (3)
S3—W1—Cs2^vi	57.53 (4)	S1^iv—Cs2—S3	114.37 (4)
S3^i—W1—Cs2^vi	143.17 (4)	S3^xii—Cs2—S3	152.884 (17)
S1—W1—Cs2^vi	55.946 (9)	S3^v—Cs2—S3	117.054 (10)
S2—W1—Cs2^vi	107.18 (3)	S3^xiii—Cs2—S3	118.09 (2)
Cs2^ii—W1—Cs2^vi	80.054 (9)	S3^xiv—Cs2—S3	92.90 (2)
Cs2—W1—Cs2^vi	124.159 (7)	S2^ii—Cs2—S3	63.19 (3)
Cs1^iii—W1—Cs2^vi	75.627 (8)	S2—Cs2—S3	53.61 (3)
Cs1^iv—W1—Cs2^vi	158.065 (11)	S1^v—Cs2—S3^i	114.37 (4)
Cs1^v—W1—Cs2^vi	64.062 (9)	S1^iv—Cs2—S3^i	62.64 (3)
S3—W1—Cs2^vii	143.17 (4)	S3^xii—Cs2—S3^i	117.054 (10)
S3^i—W1—Cs2^vii	57.53 (4)	S3^v—Cs2—S3^i	152.884 (17)
S1—W1—Cs2^vii	55.946 (9)	S3^xiii—Cs2—S3^i	92.90 (2)
S2—W1—Cs2^vii	107.18 (3)	S3^xiv—Cs2—S3^i	118.09 (2)
Cs2^ii—W1—Cs2^vii	80.054 (9)	S2^ii—Cs2—S3^i	63.19 (3)
Cs2—W1—Cs2^vii	124.159 (7)	S2—Cs2—S3^i	53.61 (3)
Cs1^iii—W1—Cs2^vii	75.627 (8)	S3—Cs2—S3^i	52.30 (3)
Cs1^iv—W1—Cs2^vii	64.062 (9)	S1^v—Cs2—W1^xiv	97.60 (3)
Cs1^v—W1—Cs2^vii	158.065 (11)	S1^iv—Cs2—W1^xiv	97.60 (3)
Cs2^vi—W1—Cs2^vii	110.588 (13)	S3^xii—Cs2—W1^xiv	86.91 (2)
S1^viii—Cs1—S1	136.42 (4)	S3^v—Cs2—W1^xiv	86.91 (2)
S1^viii—Cs1—S3^ix	142.64 (3)	S3^xiii—Cs2—W1^xiv	31.796 (19)
S1—Cs1—S3^ix	69.10 (4)	S3^xiv—Cs2—W1^xiv	31.796 (19)
S1^viii—Cs1—S3^vi	142.64 (3)	S2^ii—Cs2—W1^xiv	176.10 (3)
S1—Cs1—S3^vi	69.10 (4)	S2—Cs2—W1^xiv	75.44 (3)
S3^ix—Cs1—S3^vi	62.27 (4)	S3—Cs2—W1^xiv	120.19 (2)
S1^viii—Cs1—S3^x	69.81 (4)	S3^i—Cs2—W1^xiv	120.19 (2)
S1—Cs1—S3^x	73.08 (4)	S1^v—Cs2—W1	90.97 (3)
S3^ix—Cs1—S3^x	104.94 (3)	S1^iv—Cs2—W1	90.97 (3)
S3^vi—Cs1—S3^x	142.16 (2)	S3^xii—Cs2—W1	147.771 (19)
S1^viii—Cs1—S3^xi	69.81 (4)	S3^v—Cs2—W1	147.77 (2)
S1—Cs1—S3^xi	73.08 (4)	S3^xiii—Cs2—W1	91.90 (3)
S3^ix—Cs1—S3^xi	142.16 (2)	S3^xiv—Cs2—W1	91.90 (3)
S3^vi—Cs1—S3^xi	104.94 (3)	S2^ii—Cs2—W1	76.96 (3)
S3^x—Cs1—S3^xi	61.92 (4)	S2—Cs2—W1	31.50 (3)
S1^viii—Cs1—S2^viii	62.03 (4)	S3—Cs2—W1	30.924 (18)
S1—Cs1—S2^viii	161.55 (5)	S3^i—Cs2—W1	30.924 (18)
S3^ix—Cs1—S2^viii	95.29 (4)	W1^xiv—Cs2—W1	106.942 (12)
S3^vi—Cs1—S2^viii	95.29 (4)	W1—S1—Cs1^iii	95.44 (7)
S3^x—Cs1—S2^viii	122.10 (4)	W1—S1—Cs1	162.32 (9)
S3^xi—Cs1—S2^viii	122.10 (4)	Cs1^iii—S1—Cs1	102.24 (5)
S1^viii—Cs1—S2^vi	85.68 (3)	W1—S1—Cs2^vi	94.25 (3)
S1—Cs1—S2^vi	101.28 (3)	Cs1^iii—S1—Cs2^vi	96.68 (3)
S3^ix—Cs1—S2^vi	119.97 (4)	Cs1—S1—Cs2^vi	83.78 (3)
S3^vi—Cs1—S2^vi	59.36 (3)	W1—S1—Cs2^vii	94.25 (3)
S3^x—Cs1—S2^vi	129.54 (4)	Cs1^iii—S1—Cs2^vii	96.68 (3)
S3^xi—Cs1—S2^vi	68.43 (4)	Cs1—S1—Cs2^vii	83.78 (3)
S2^viii—Cs1—S2^vi	77.53 (3)	Cs2^vi—S1—Cs2^vii	163.39 (6)
S1^viii—Cs1—S2^vii	85.68 (3)	W1—S2—Cs1^iii	91.71 (6)
S1—Cs1—S2^vii	101.28 (3)	W1—S2—Cs1^iv	91.31 (3)
S3^ix—Cs1—S2^vii	59.36 (3)	Cs1^iii—S2—Cs1^iv	102.47 (3)
S3^vi—Cs1—S2^vii	119.97 (4)	W1—S2—Cs1^v	91.31 (3)
S3^x—Cs1—S2^vii	68.43 (4)	Cs1^iii—S2—Cs1^v	102.47 (3)
S3^xi—Cs1—S2^vii	129.54 (4)	Cs1^iv—S2—Cs1^v	154.83 (6)
S2^viii—Cs1—S2^vii	77.53 (3)	W1—S2—Cs2^xiv	170.32 (8)
S2^vi—Cs1—S2^vii	154.83 (6)	Cs1^iii—S2—Cs2^xiv	78.61 (4)
S1^viii—Cs1—W1^viii	30.83 (3)	Cs1^iv—S2—Cs2^xiv	90.80 (3)
S1—Cs1—W1^viii	167.25 (4)	Cs1^v—S2—Cs2^xiv	90.80 (3)
S3^ix—Cs1—W1^viii	121.31 (3)	W1—S2—Cs2	80.20 (5)
S3^vi—Cs1—W1^viii	121.31 (3)	Cs1^iii—S2—Cs2	171.91 (6)
S3^x—Cs1—W1^viii	96.08 (3)	Cs1^iv—S2—Cs2	77.90 (3)
S3^xi—Cs1—W1^viii	96.08 (3)	Cs1^v—S2—Cs2	77.90 (3)
S2^viii—Cs1—W1^viii	31.20 (3)	Cs2^xiv—S2—Cs2	109.48 (5)
S2^vi—Cs1—W1^viii	80.24 (3)	W1—S3—Cs1^v	95.85 (4)
S2^vii—Cs1—W1^viii	80.24 (3)	W1—S3—Cs1^xi	156.39 (6)
S1^viii—Cs1—W1^vii	112.968 (15)	Cs1^v—S3—Cs1^xi	99.60 (3)
S1—Cs1—W1^vii	89.53 (2)	W1—S3—Cs2^vi	92.64 (5)
S3^ix—Cs1—W1^vii	30.016 (19)	Cs1^v—S3—Cs2^vi	79.44 (3)
S3^vi—Cs1—W1^vii	89.58 (2)	Cs1^xi—S3—Cs2^vi	107.62 (3)
S3^x—Cs1—W1^vii	91.15 (2)	W1—S3—Cs2^ii	84.20 (4)
S3^xi—Cs1—W1^vii	150.96 (2)	Cs1^v—S3—Cs2^ii	174.41 (5)
S2^viii—Cs1—W1^vii	80.296 (18)	Cs1^xi—S3—Cs2^ii	82.13 (3)
S2^vi—Cs1—W1^vii	139.31 (3)	Cs2^vi—S3—Cs2^ii	94.97 (3)
S2^vii—Cs1—W1^vii	30.43 (3)	W1—S3—Cs2	77.54 (4)
W1^viii—Cs1—W1^vii	97.530 (8)	Cs1^v—S3—Cs2	78.13 (3)
S1^viii—Cs1—W1^vi	112.968 (15)	Cs1^xi—S3—Cs2	88.26 (3)
S1—Cs1—W1^vi	89.53 (2)	Cs2^vi—S3—Cs2	154.38 (4)
S3^ix—Cs1—W1^vi	89.58 (2)	Cs2^ii—S3—Cs2	107.29 (3)
S3^vi—Cs1—W1^vi	30.016 (19)

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