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The title compound, Cs4SrSn3Se9, contains infinite `dreier' [SnSe3]2- chains consisting of corner-linked SnSe4 tetra­hedra. Whereas the larger independent caesium cations exhibit coordination numbers of 8 and 9, a distorted octa­hedral environment is observed for the smaller strontium cation.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805031090/wm6093sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805031090/wm6093Isup2.hkl
Contains datablock I

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](n-Se) = 0.003 Å
  • R factor = 0.036
  • wR factor = 0.101
  • Data-to-parameter ratio = 15.2

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 136 SE2 -CS2 -SE3 -SN 105.60 0.30 4.454 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 144 SE2 -CS2 -SE3 -SR -143.90 0.30 4.454 1.555 1.555 7.545 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 152 SE2 -CS2 -SE3 -CS1 1.00 0.30 4.454 1.555 1.555 3.665 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 162 SE2 -CS2 -SE3 -CS1 14.90 0.30 4.454 1.555 1.555 4.445 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 170 SE2 -CS2 -SE3 -CS1 -171.80 0.30 4.454 1.555 1.555 8.645 PLAT733_ALERT_1_C Torsion Calc 62.01(11), Rep 62.02(3) ...... 3.67 su-Rat SE1 -SN -SE1 -SN 6.665 1.555 1.555 8.644 PLAT733_ALERT_1_C Torsion Calc 38.19(5), Rep 38.19(2) ...... 2.78 su-Rat SE3 -CS2 -SE3 -SR 2.655 1.555 1.555 7.545 PLAT733_ALERT_1_C Torsion Calc -38.19(5), Rep -38.19(2) ...... 2.78 su-Rat SE3 -CS2 -SE3 -SR 3.665 1.555 1.555 7.545
Alert level G REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure From the CIF: _diffrn_reflns_theta_max 24.99 From the CIF: _reflns_number_total 792 Count of symmetry unique reflns 701 Completeness (_total/calc) 112.98% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 91 Fraction of Friedel pairs measured 0.130 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: Siemens R3m/V (Siemens, 1989); cell refinement: Siemens R3m/V; data reduction: XDISK (Siemens, 1989); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL-Plus (Sheldrick, 1995); software used to prepare material for publication: SHELXL97.

Tetracesium strontium catena-nonaselenidotristannate(IV) top
Crystal data top
Cs4SrSn3Se9Dx = 4.744 Mg m3
Mr = 1685.97Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3Cell parameters from 21 reflections
Hall symbol: R 3θ = 4.4–18.5°
a = 14.528 (3) ŵ = 25.32 mm1
c = 9.685 (4) ÅT = 293 K
V = 1770.4 (9) Å3Prism, black
Z = 30.11 × 0.10 × 0.09 mm
F(000) = 2142
Data collection top
Siemens P4 four-circle
diffractometer
782 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.044
Graphite monochromatorθmax = 25.0°, θmin = 2.8°
ω scansh = 116
Absorption correction: ψ scan
(XPREP in SHELXTL-Plus; Sheldrick, 1995)
k = 171
Tmin = 0.075, Tmax = 0.098l = 111
945 measured reflections3 standard reflections every 97 reflections
792 independent reflections intensity decay: 0.1%
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.036 w = 1/[σ2(Fo2) + (0.0779P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.102(Δ/σ)max < 0.001
S = 1.15Δρmax = 1.52 e Å3
792 reflectionsΔρmin = 1.71 e Å3
52 parametersAbsolute structure: Flack (1983), 111 Friedel pairs
1 restraintAbsolute structure parameter: 0.02 (3)
Special details top

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 (Å2) top
xyzUiso*/Ueq
Cs11.00451 (10)0.56109 (9)0.17713 (13)0.0314 (4)
Cs20.66670.33330.1886 (3)0.0403 (6)
Sn0.89143 (8)0.23873 (9)0.44014 (13)0.0171 (3)
Se10.90254 (14)0.26040 (15)0.1782 (2)0.0216 (4)
Se20.94565 (15)0.11743 (14)0.5419 (2)0.0239 (4)
Se30.70045 (15)0.17204 (15)0.4813 (2)0.0241 (5)
Sr0.33330.66670.0147 (3)0.0203 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cs10.0307 (6)0.0301 (7)0.0317 (8)0.0138 (5)0.0000 (5)0.0029 (5)
Cs20.0443 (9)0.0443 (9)0.0325 (13)0.0221 (4)0.0000.000
Sn0.0177 (6)0.0174 (6)0.0172 (6)0.0095 (5)0.0009 (4)0.0007 (4)
Se10.0160 (8)0.0261 (9)0.0177 (9)0.0068 (7)0.0000 (6)0.0010 (7)
Se20.0299 (10)0.0221 (9)0.0249 (9)0.0170 (8)0.0034 (8)0.0008 (8)
Se30.0211 (9)0.0239 (9)0.0286 (10)0.0123 (7)0.0020 (7)0.0046 (8)
Sr0.0194 (8)0.0194 (8)0.0221 (15)0.0097 (4)0.0000.000
Geometric parameters (Å, º) top
Cs1—Se2i3.661 (2)Sn—Se1v2.571 (2)
Cs1—Se2ii3.684 (2)Sn—Cs1xi4.306 (2)
Cs1—Se3iii3.777 (2)Sn—Cs1v4.3711 (18)
Cs1—Se2iv3.826 (2)Sn—Cs1xii4.4405 (18)
Cs1—Se1v3.836 (3)Se1—Sni2.571 (2)
Cs1—Se13.848 (2)Se1—Cs1i3.836 (3)
Cs1—Se3ii3.849 (2)Se2—Srxiii3.091 (3)
Cs1—Se3iv3.894 (3)Se2—Cs1v3.661 (2)
Cs1—Cs1vi4.2184 (18)Se2—Cs1xii3.684 (2)
Cs1—Cs1vii4.2185 (18)Se2—Cs2xiv3.754 (3)
Cs1—Sniv4.306 (2)Se2—Cs1xi3.826 (2)
Cs1—Cs24.3372 (15)Se3—Srxiv3.100 (2)
Cs2—Se2iv3.754 (3)Se3—Cs1x3.777 (2)
Cs2—Se2viii3.754 (3)Se3—Cs1xii3.849 (2)
Cs2—Se2ix3.754 (3)Se3—Cs1xi3.894 (3)
Cs2—Se33.862 (3)Sr—Se2xv3.091 (3)
Cs2—Se3iii3.862 (3)Sr—Se2xvi3.091 (3)
Cs2—Se3x3.862 (3)Sr—Se2vi3.091 (3)
Cs2—Se14.063 (2)Sr—Se3ix3.100 (2)
Cs2—Se1x4.063 (2)Sr—Se3xvii3.101 (2)
Cs2—Se1iii4.063 (2)Sr—Se3xviii3.101 (2)
Cs2—Cs1x4.3372 (15)Sr—Cs2ix4.488 (4)
Cs2—Cs1iii4.3372 (15)Sr—Cs1xix4.615 (2)
Sn—Se22.467 (2)Sr—Cs1xx4.615 (2)
Sn—Se32.472 (2)Sr—Cs1iii4.615 (2)
Sn—Se12.551 (3)Sr—Cs2xxi5.198 (5)
Se2i—Cs1—Se2ii62.80 (6)Se1x—Cs2—Se1iii119.939 (4)
Se2i—Cs1—Se3iii120.54 (6)Se2—Sn—Se3110.63 (8)
Se2ii—Cs1—Se3iii114.49 (5)Se2—Sn—Se1117.54 (9)
Se2i—Cs1—Se2iv103.08 (6)Se3—Sn—Se1101.43 (8)
Se2ii—Cs1—Se2iv133.72 (6)Se2—Sn—Se1v109.41 (8)
Se3iii—Cs1—Se2iv110.38 (5)Se3—Sn—Se1v118.02 (7)
Se2i—Cs1—Se1v61.28 (5)Se1—Sn—Se1v99.60 (7)
Se2ii—Cs1—Se1v92.77 (5)Sn—Se1—Sni107.45 (8)
Se3iii—Cs1—Se1v59.57 (5)Sn—Se1—Cs1i141.88 (7)
Se2iv—Cs1—Se1v119.93 (5)Sni—Se1—Cs1i96.13 (7)
Se2i—Cs1—Se166.35 (4)Sn—Se1—Cs196.18 (7)
Se2ii—Cs1—Se1129.14 (5)Sni—Se1—Cs183.30 (5)
Se3iii—Cs1—Se190.19 (5)Cs1i—Se1—Cs1116.38 (6)
Se2iv—Cs1—Se159.77 (4)Sn—Se1—Cs289.89 (7)
Se1v—Cs1—Se161.22 (4)Sni—Se1—Cs2146.75 (7)
Se2i—Cs1—Se3ii127.86 (5)Cs1i—Se1—Cs285.92 (5)
Se2ii—Cs1—Se3ii65.20 (4)Cs1—Se1—Cs266.43 (4)
Se3iii—Cs1—Se3ii84.33 (4)Sn—Se2—Srxiii112.06 (9)
Se2iv—Cs1—Se3ii109.69 (5)Sn—Se2—Cs1v88.78 (6)
Se1v—Cs1—Se3ii125.67 (5)Srxiii—Se2—Cs1v85.79 (5)
Se1—Cs1—Se3ii165.47 (6)Sn—Se2—Cs1xii90.19 (6)
Se2i—Cs1—Se3iv76.91 (5)Srxiii—Se2—Cs1xii85.39 (5)
Se2ii—Cs1—Se3iv70.32 (5)Cs1v—Se2—Cs1xii170.01 (7)
Se3iii—Cs1—Se3iv162.46 (5)Sn—Se2—Cs2xiv149.60 (8)
Se2iv—Cs1—Se3iv63.47 (5)Srxiii—Se2—Cs2xiv98.33 (7)
Se1v—Cs1—Se3iv137.97 (6)Cs1v—Se2—Cs2xiv93.14 (5)
Se1—Cs1—Se3iv99.44 (5)Cs1xii—Se2—Cs2xiv92.77 (5)
Se3ii—Cs1—Se3iv82.78 (4)Sn—Se2—Cs1xi83.36 (6)
Se2iv—Cs2—Se2viii61.28 (6)Srxiii—Se2—Cs1xi149.94 (7)
Se2iv—Cs2—Se2ix61.28 (6)Cs1v—Se2—Cs1xi121.38 (6)
Se2viii—Cs2—Se2ix61.28 (6)Cs1xii—Se2—Cs1xi68.32 (5)
Se2iv—Cs2—Se3116.63 (4)Cs2xiv—Se2—Cs1xi69.80 (5)
Se2viii—Cs2—Se3110.09 (5)Sn—Se3—Srxiv111.14 (7)
Se2ix—Cs2—Se3171.30 (5)Sn—Se3—Cs1x105.77 (7)
Se2iv—Cs2—Se3iii110.09 (5)Srxiv—Se3—Cs1x133.32 (7)
Se2viii—Cs2—Se3iii171.30 (5)Sn—Se3—Cs1xii86.37 (6)
Se2ix—Cs2—Se3iii116.63 (4)Srxiv—Se3—Cs1xii140.95 (8)
Se3—Cs2—Se3iii72.06 (6)Cs1x—Se3—Cs1xii67.16 (4)
Se2iv—Cs2—Se3x171.30 (5)Sn—Se3—Cs295.85 (6)
Se2viii—Cs2—Se3x116.63 (4)Srxiv—Se3—Cs279.43 (8)
Se2ix—Cs2—Se3x110.09 (5)Cs1x—Se3—Cs269.17 (5)
Se3—Cs2—Se3x72.06 (6)Cs1xii—Se3—Cs2135.12 (6)
Se3iii—Cs2—Se3x72.06 (6)Sn—Se3—Cs1xi81.85 (6)
Se2iv—Cs2—Se158.41 (4)Srxiv—Se3—Cs1xi81.72 (7)
Se2viii—Cs2—Se188.21 (5)Cs1x—Se3—Cs1xi131.88 (6)
Se2ix—Cs2—Se1119.67 (7)Cs1xii—Se3—Cs1xi66.02 (4)
Se3—Cs2—Se158.69 (4)Cs2—Se3—Cs1xi158.74 (6)
Se3iii—Cs2—Se185.88 (4)Se2xv—Sr—Se2xvi76.47 (9)
Se3x—Cs2—Se1130.24 (7)Se2xv—Sr—Se2vi76.47 (9)
Se2iv—Cs2—Se1x119.67 (7)Se2xvi—Sr—Se2vi76.47 (9)
Se2viii—Cs2—Se1x58.41 (4)Se2xv—Sr—Se3ix166.06 (9)
Se2ix—Cs2—Se1x88.21 (5)Se2xvi—Sr—Se3ix89.70 (5)
Se3—Cs2—Se1x85.88 (4)Se2vi—Sr—Se3ix98.82 (5)
Se3iii—Cs2—Se1x130.24 (7)Se2xv—Sr—Se3xvii98.82 (5)
Se3x—Cs2—Se1x58.69 (4)Se2xvi—Sr—Se3xvii166.06 (9)
Se1—Cs2—Se1x119.939 (4)Se2vi—Sr—Se3xvii89.70 (5)
Se2iv—Cs2—Se1iii88.21 (5)Se3ix—Sr—Se3xvii94.23 (8)
Se2viii—Cs2—Se1iii119.67 (7)Se2xv—Sr—Se3xviii89.70 (5)
Se2ix—Cs2—Se1iii58.41 (4)Se2xvi—Sr—Se3xviii98.82 (5)
Se3—Cs2—Se1iii130.24 (7)Se2vi—Sr—Se3xviii166.06 (9)
Se3iii—Cs2—Se1iii58.69 (4)Se3ix—Sr—Se3xviii94.23 (8)
Se3x—Cs2—Se1iii85.88 (4)Se3xvii—Sr—Se3xviii94.23 (8)
Se1—Cs2—Se1iii119.939 (4)
Se2—Sn—Se1—Sni55.91 (10)Se3—Sn—Se2—Srxiii110.99 (8)
Se3—Sn—Se1—Sni176.63 (8)Se1—Sn—Se2—Srxiii4.81 (11)
Se1v—Sn—Se1—Sni62.02 (3)Se1v—Sn—Se2—Srxiii117.34 (8)
Cs1xi—Sn—Se1—Sni139.27 (17)Cs1xi—Sn—Se2—Srxiii153.25 (8)
Cs1v—Sn—Se1—Sni0.36 (7)Cs1v—Sn—Se2—Srxiii84.96 (7)
Cs1xii—Sn—Se1—Sni115.05 (7)Cs1xii—Sn—Se2—Srxiii85.11 (7)
Se2—Sn—Se1—Cs1i69.68 (15)Se3—Sn—Se2—Cs1v164.05 (7)
Se3—Sn—Se1—Cs1i51.04 (15)Se1—Sn—Se2—Cs1v80.15 (8)
Se1v—Sn—Se1—Cs1i172.39 (14)Se1v—Sn—Se2—Cs1v32.38 (8)
Cs1xi—Sn—Se1—Cs1i13.7 (3)Cs1xi—Sn—Se2—Cs1v121.79 (6)
Cs1v—Sn—Se1—Cs1i125.95 (11)Cs1xii—Sn—Se2—Cs1v170.07 (7)
Cs1xii—Sn—Se1—Cs1i10.54 (14)Se3—Sn—Se2—Cs1xii25.89 (8)
Se2—Sn—Se1—Cs1140.80 (7)Se1—Sn—Se2—Cs1xii89.91 (7)
Se3—Sn—Se1—Cs198.48 (6)Se1v—Sn—Se2—Cs1xii157.56 (6)
Se1v—Sn—Se1—Cs122.88 (6)Cs1xi—Sn—Se2—Cs1xii68.14 (4)
Cs1xi—Sn—Se1—Cs1135.83 (17)Cs1v—Sn—Se2—Cs1xii170.07 (7)
Cs1v—Sn—Se1—Cs184.53 (4)Se3—Sn—Se2—Cs2xiv69.93 (16)
Cs1xii—Sn—Se1—Cs1160.06 (5)Se1—Sn—Se2—Cs2xiv174.27 (12)
Se2—Sn—Se1—Cs2152.93 (7)Se1v—Sn—Se2—Cs2xiv61.74 (16)
Se3—Sn—Se1—Cs232.21 (7)Cs1xi—Sn—Se2—Cs2xiv27.67 (12)
Se1v—Sn—Se1—Cs289.15 (7)Cs1v—Sn—Se2—Cs2xiv94.12 (15)
Cs1xi—Sn—Se1—Cs269.6 (2)Cs1xii—Sn—Se2—Cs2xiv95.81 (15)
Cs1v—Sn—Se1—Cs2150.80 (3)Se3—Sn—Se2—Cs1xi42.25 (8)
Cs1xii—Sn—Se1—Cs293.78 (4)Se1—Sn—Se2—Cs1xi158.05 (7)
Se2i—Cs1—Se1—Sn86.07 (7)Se1v—Sn—Se2—Cs1xi89.42 (7)
Se2ii—Cs1—Se1—Sn84.96 (9)Cs1v—Sn—Se2—Cs1xi121.79 (6)
Se3iii—Cs1—Se1—Sn37.52 (7)Cs1xii—Sn—Se2—Cs1xi68.14 (4)
Se2iv—Cs1—Se1—Sn151.18 (7)Se2—Sn—Se3—Srxiv119.33 (10)
Se1v—Cs1—Se1—Sn17.04 (4)Se1—Sn—Se3—Srxiv115.21 (10)
Se3ii—Cs1—Se1—Sn105.1 (2)Se1v—Sn—Se3—Srxiv7.73 (13)
Se3iv—Cs1—Se1—Sn157.21 (7)Cs1xi—Sn—Se3—Srxiv77.80 (8)
Sniv—Cs1—Se1—Sn170.90 (6)Cs1v—Sn—Se3—Srxiv74.0 (2)
Se2i—Cs1—Se1—Sni20.84 (6)Cs1xii—Sn—Se3—Srxiv144.08 (10)
Se2ii—Cs1—Se1—Sni21.96 (10)Se2—Sn—Se3—Cs1x89.79 (9)
Se3iii—Cs1—Se1—Sni144.44 (6)Se1—Sn—Se3—Cs1x35.67 (8)
Se2iv—Cs1—Se1—Sni101.91 (7)Se1v—Sn—Se3—Cs1x143.15 (7)
Se1v—Cs1—Se1—Sni89.87 (7)Se2—Sn—Se3—Cs1xii24.75 (8)
Se3ii—Cs1—Se1—Sni148.0 (2)Se1—Sn—Se3—Cs1xii100.71 (6)
Se3iv—Cs1—Se1—Sni50.29 (7)Se1v—Sn—Se3—Cs1xii151.81 (8)
Sniv—Cs1—Se1—Sni63.98 (5)Se2—Sn—Se3—Cs2159.76 (7)
Se2i—Cs1—Se1—Cs1i114.39 (6)Se1—Sn—Se3—Cs234.30 (8)
Se2ii—Cs1—Se1—Cs1i115.50 (7)Se1v—Sn—Se3—Cs273.18 (10)
Se3iii—Cs1—Se1—Cs1i122.01 (7)Se2—Sn—Se3—Cs1xi41.53 (7)
Se2iv—Cs1—Se1—Cs1i8.36 (5)Se1—Sn—Se3—Cs1xi166.99 (6)
Se1v—Cs1—Se1—Cs1i176.58 (8)Se1v—Sn—Se3—Cs1xi85.53 (9)
Se3ii—Cs1—Se1—Cs1i54.4 (3)Se2iv—Cs2—Se3—Sn31.69 (7)
Se3iv—Cs1—Se1—Cs1i43.26 (6)Se2viii—Cs2—Se3—Sn98.80 (7)
Sniv—Cs1—Se1—Cs1i29.56 (5)Se2ix—Cs2—Se3—Sn105.6 (3)
Se2i—Cs1—Se1—Cs2173.24 (6)Se3iii—Cs2—Se3—Sn72.28 (8)
Se2ii—Cs1—Se1—Cs2172.13 (8)Se3x—Cs2—Se3—Sn148.66 (6)
Se3iii—Cs1—Se1—Cs249.65 (5)Se1—Cs2—Se3—Sn23.95 (6)
Se2iv—Cs1—Se1—Cs264.01 (5)Se1x—Cs2—Se3—Sn152.96 (7)
Se1v—Cs1—Se1—Cs2104.21 (6)Se1iii—Cs2—Se3—Sn80.56 (8)
Se3ii—Cs1—Se1—Cs218.0 (2)Se2iv—Cs2—Se3—Srxiv142.16 (4)
Se3iv—Cs1—Se1—Cs2115.63 (6)Se2viii—Cs2—Se3—Srxiv150.73 (4)
Sniv—Cs1—Se1—Cs2101.93 (5)Se2ix—Cs2—Se3—Srxiv143.9 (3)
Se2iv—Cs2—Se1—Sn165.10 (7)Se3iii—Cs2—Se3—Srxiv38.189 (18)
Se2viii—Cs2—Se1—Sn137.94 (6)Se3x—Cs2—Se3—Srxiv38.189 (18)
Se2ix—Cs2—Se1—Sn166.88 (6)Se1—Cs2—Se3—Srxiv134.42 (5)
Se3—Cs2—Se1—Sn23.03 (5)Se1x—Cs2—Se3—Srxiv96.57 (5)
Se3iii—Cs2—Se1—Sn48.45 (6)Se1iii—Cs2—Se3—Srxiv29.91 (6)
Se3x—Cs2—Se1—Sn13.81 (8)Se2iv—Cs2—Se3—Cs1x72.98 (6)
Se1x—Cs2—Se1—Sn86.46 (9)Se2viii—Cs2—Se3—Cs1x5.87 (5)
Se1iii—Cs2—Se1—Sn98.45 (9)Se2ix—Cs2—Se3—Cs1x1.0 (3)
Se2iv—Cs2—Se1—Sni42.15 (14)Se3iii—Cs2—Se3—Cs1x176.96 (5)
Se2viii—Cs2—Se1—Sni99.11 (14)Se3x—Cs2—Se3—Cs1x106.66 (6)
Se2ix—Cs2—Se1—Sni43.93 (17)Se1—Cs2—Se3—Cs1x80.73 (5)
Se3—Cs2—Se1—Sni145.98 (16)Se1x—Cs2—Se3—Cs1x48.28 (4)
Se3iii—Cs2—Se1—Sni74.50 (16)Se1iii—Cs2—Se3—Cs1x174.76 (5)
Se3x—Cs2—Se1—Sni136.76 (13)Cs1—Cs2—Se3—Cs1x125.65 (4)
Se1x—Cs2—Se1—Sni150.59 (10)Cs1iii—Cs2—Se3—Cs1x103.58 (4)
Se1iii—Cs2—Se1—Sni24.5 (2)Se2iv—Cs2—Se3—Cs1xii59.04 (9)
Se2iv—Cs2—Se1—Cs1i52.83 (5)Se2viii—Cs2—Se3—Cs1xii8.07 (9)
Se2viii—Cs2—Se1—Cs1i4.13 (5)Se2ix—Cs2—Se3—Cs1xii14.9 (3)
Se2ix—Cs2—Se1—Cs1i51.04 (6)Se3iii—Cs2—Se3—Cs1xii163.02 (10)
Se3—Cs2—Se1—Cs1i119.04 (6)Se3x—Cs2—Se3—Cs1xii120.60 (10)
Se3iii—Cs2—Se1—Cs1i169.48 (5)Se1—Cs2—Se3—Cs1xii66.79 (8)
Se3x—Cs2—Se1—Cs1i128.27 (6)Se1x—Cs2—Se3—Cs1xii62.22 (8)
Se1x—Cs2—Se1—Cs1i55.62 (9)Se1iii—Cs2—Se3—Cs1xii171.30 (7)
Se1iii—Cs2—Se1—Cs1i119.47 (8)Se2iv—Cs2—Se3—Cs1xi114.24 (15)
Se2iv—Cs2—Se1—Cs168.30 (5)Se2viii—Cs2—Se3—Cs1xi178.65 (14)
Se2viii—Cs2—Se1—Cs1125.27 (6)Se2ix—Cs2—Se3—Cs1xi171.8 (3)
Se2ix—Cs2—Se1—Cs170.09 (5)Se3iii—Cs2—Se3—Cs1xi10.26 (14)
Se3—Cs2—Se1—Cs1119.82 (6)Se3x—Cs2—Se3—Cs1xi66.12 (12)
Se3iii—Cs2—Se1—Cs148.35 (4)Se1—Cs2—Se3—Cs1xi106.49 (16)
Se3x—Cs2—Se1—Cs1110.60 (6)Se1x—Cs2—Se3—Cs1xi124.50 (15)
Se1x—Cs2—Se1—Cs1176.75 (8)Se1iii—Cs2—Se3—Cs1xi1.98 (18)
Se1iii—Cs2—Se1—Cs11.66 (9)
Symmetry codes: (i) y+4/3, xy1/3, z1/3; (ii) x+1/3, y+2/3, z1/3; (iii) y+1, xy, z; (iv) x+y+5/3, x+4/3, z2/3; (v) x+y+5/3, x+4/3, z+1/3; (vi) x+y+4/3, x+5/3, z1/3; (vii) y+5/3, xy+1/3, z+1/3; (viii) y+2/3, xy2/3, z2/3; (ix) x1/3, y+1/3, z2/3; (x) x+y+1, x+1, z; (xi) y+4/3, xy1/3, z+2/3; (xii) x1/3, y2/3, z+1/3; (xiii) x+2/3, y2/3, z+1/3; (xiv) x+1/3, y1/3, z+2/3; (xv) x2/3, y+2/3, z1/3; (xvi) y+1/3, xy1/3, z1/3; (xvii) y+2/3, xy+1/3, z2/3; (xviii) x+y+2/3, x+4/3, z2/3; (xix) x+y+1, x+2, z; (xx) x1, y, z; (xxi) x1/3, y+1/3, z+1/3.
 

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