RbGaS2, for which only cell parameters were previously known, consists of GaS2 layers interleaved with Rb atoms.
Supporting information
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (a-S) = 0.006 Å
- R factor = 0.053
- wR factor = 0.186
- Data-to-parameter ratio = 19.7
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
4 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
4 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
0 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: CAD-4 Software (Enraf–Nonius, 1989); cell refinement: CAD-4 Software; data reduction: XCAD$ in WinGX (Farrugia, 1999); program(s) used to solve structure: SHELXL86 (Sheldrick, 1986); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 1999) and ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
Crystal data top
RbGaS2 | F(000) = 1600 |
Mr = 219.31 | Dx = 3.499 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 25 reflections |
a = 10.484 (15) Å | θ = 10–15° |
b = 10.468 (15) Å | µ = 18.99 mm−1 |
c = 15.390 (16) Å | T = 293 K |
β = 99.69 (10)° | Block, brown |
V = 1665 (4) Å3 | 0.2 × 0.1 × 0.1 mm |
Z = 16 | |
Data collection top
Enraf–Nonius CAD-4 diffractometer | 895 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.077 |
Graphite monochromator | θmax = 25.0°, θmin = 2.7° |
ω–2θ scans | h = −12→8 |
Absorption correction: ψ scan (North et al., 1968) | k = −12→8 |
Tmin = 0.076, Tmax = 0.150 | l = −18→18 |
3083 measured reflections | 2 standard reflections every 60 min |
1476 independent reflections | intensity decay: none |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.053 | w = 1/[σ2(Fo2) + (0.0817P)2 + 20.9393P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.186 | (Δ/σ)max < 0.001 |
S = 1.19 | Δρmax = 1.32 e Å−3 |
1476 reflections | Δρmin = −1.35 e Å−3 |
75 parameters | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
0 restraints | Extinction coefficient: 0.00029 (8) |
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 | x | y | z | Uiso*/Ueq | |
S1 | 0.2542 (3) | 0.1878 (6) | 0.25028 (19) | 0.0167 (12) | |
S2 | 0.2080 (4) | 0.4375 (5) | 0.0800 (3) | 0.0208 (9) | |
S3 | 0.0000 | 0.4426 (8) | 0.2500 | 0.0247 (16) | |
S4 | 0.5000 | 0.4324 (8) | 0.2500 | 0.0218 (15) | |
S5 | 0.0436 (4) | 0.1877 (5) | 0.4239 (3) | 0.0235 (10) | |
Ga1 | 0.10272 (13) | 0.31066 (15) | 0.16745 (10) | 0.0179 (5) | |
Ga2 | 0.14382 (13) | 0.06425 (16) | 0.33286 (9) | 0.0171 (5) | |
Rb1 | 0.46325 (15) | 0.1874 (2) | 0.10626 (10) | 0.0290 (5) | |
Rb2 | 0.28585 (16) | 0.4385 (2) | 0.39527 (11) | 0.0296 (6) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
S1 | 0.020 (2) | 0.009 (3) | 0.021 (2) | 0.0006 (10) | 0.0030 (19) | 0.0016 (11) |
S2 | 0.0225 (17) | 0.025 (2) | 0.0145 (18) | −0.0084 (15) | 0.0028 (14) | −0.0009 (18) |
S3 | 0.019 (3) | 0.035 (4) | 0.022 (3) | 0.000 | 0.007 (2) | 0.000 |
S4 | 0.014 (3) | 0.031 (4) | 0.019 (3) | 0.000 | 0.001 (2) | 0.000 |
S5 | 0.0247 (19) | 0.024 (2) | 0.022 (2) | 0.0082 (15) | 0.0042 (15) | 0.0011 (19) |
Ga1 | 0.0178 (8) | 0.0185 (9) | 0.0176 (8) | −0.0012 (6) | 0.0035 (6) | 0.0008 (7) |
Ga2 | 0.0168 (8) | 0.0169 (9) | 0.0175 (8) | 0.0013 (5) | 0.0029 (6) | 0.0000 (6) |
Rb1 | 0.0312 (9) | 0.0326 (11) | 0.0233 (10) | −0.0067 (7) | 0.0047 (7) | 0.0000 (8) |
Rb2 | 0.0303 (9) | 0.0325 (11) | 0.0258 (10) | 0.0067 (7) | 0.0039 (7) | −0.0001 (8) |
Geometric parameters (Å, º) top
S1—Ga2 | 2.263 (5) | Ga1—Rb2 | 3.938 (5) |
S1—Ga1 | 2.263 (5) | Ga1—Rb1v | 4.152 (5) |
S1—Rb1 | 3.370 (5) | Ga1—Rb2ii | 4.226 (6) |
S1—Rb1i | 3.384 (6) | Ga2—S1 | 2.263 (5) |
S1—Rb2ii | 3.419 (6) | Ga2—S4xi | 2.271 (6) |
S1—Rb2 | 3.424 (6) | Ga2—S5 | 2.288 (5) |
S2—Ga2iii | 2.296 (5) | Ga2—S2ii | 2.296 (5) |
S2—Ga1 | 2.300 (5) | Ga2—Rb2ii | 3.934 (4) |
S2—Rb2iv | 3.350 (6) | Ga2—Rb2ix | 4.125 (5) |
S2—Rb1v | 3.380 (6) | Ga2—Rb2xi | 4.237 (6) |
S2—Rb1 | 3.717 (7) | Rb1—S5xii | 3.330 (6) |
S2—Rb1vi | 3.734 (7) | Rb1—S3xiii | 3.365 (7) |
S3—Ga1 | 2.268 (6) | Rb1—S4 | 3.366 (7) |
S3—Ga1vii | 2.268 (6) | Rb1—S1 | 3.370 (5) |
S3—Rb1iii | 3.365 (7) | Rb1—S2v | 3.380 (6) |
S3—Rb1vi | 3.365 (7) | Rb1—S1i | 3.384 (6) |
S3—Rb2vii | 3.425 (5) | Rb1—Rb2ii | 3.687 (5) |
S3—Rb2 | 3.425 (5) | Rb1—Rb2i | 3.721 (5) |
S4—Ga2viii | 2.271 (6) | Rb1—S2 | 3.717 (7) |
S4—Ga2iii | 2.271 (6) | Rb1—S2xiii | 3.734 (7) |
S4—Rb1 | 3.366 (7) | Rb1—Ga1v | 4.152 (5) |
S4—Rb1i | 3.366 (7) | Rb1—Rb1i | 4.361 (6) |
S4—Rb2i | 3.425 (4) | Rb2—S5ix | 3.318 (6) |
S4—Rb2 | 3.425 (4) | Rb2—S2xiv | 3.350 (6) |
S5—Ga2 | 2.288 (5) | Rb2—S1iii | 3.419 (6) |
S5—Ga1vii | 2.294 (5) | Rb2—S1 | 3.424 (6) |
S5—Rb2ix | 3.318 (6) | Rb2—S3vii | 3.425 (5) |
S5—Rb1x | 3.330 (6) | Rb2—S4 | 3.425 (4) |
S5—Rb2xi | 3.728 (7) | Rb2—Rb1iii | 3.687 (5) |
S5—Rb2 | 3.731 (7) | Rb2—Rb1i | 3.721 (5) |
Ga1—S1 | 2.263 (5) | Rb2—S5viii | 3.728 (7) |
Ga1—S3vii | 2.268 (6) | Rb2—S5 | 3.731 (7) |
Ga1—S5vii | 2.294 (5) | Rb2—Ga2iii | 3.934 (4) |
Ga1—S2 | 2.300 (5) | | |
| | | |
Ga2—S1—Ga1 | 105.35 (16) | S4—Rb1—S2v | 146.93 (11) |
Ga2—S1—Rb1 | 145.0 (3) | S1—Rb1—S2v | 104.30 (13) |
Ga1—S1—Rb1 | 95.88 (15) | S5xii—Rb1—S1i | 103.39 (14) |
Ga2—S1—Rb1i | 96.16 (15) | S3xiii—Rb1—S1i | 65.23 (14) |
Ga1—S1—Rb1i | 145.3 (3) | S4—Rb1—S1i | 65.15 (14) |
Rb1—S1—Rb1i | 80.45 (12) | S1—Rb1—S1i | 99.55 (12) |
Ga2—S1—Rb2ii | 85.1 (2) | S2v—Rb1—S1i | 146.69 (12) |
Ga1—S1—Rb2ii | 93.88 (16) | S5xii—Rb1—Rb2ii | 123.47 (12) |
Rb1—S1—Rb2ii | 65.79 (10) | S3xiii—Rb1—Rb2ii | 57.89 (11) |
Rb1i—S1—Rb2ii | 115.10 (15) | S4—Rb1—Rb2ii | 123.05 (11) |
Ga2—S1—Rb2 | 94.28 (15) | S1—Rb1—Rb2ii | 57.75 (11) |
Ga1—S1—Rb2 | 85.0 (2) | S2v—Rb1—Rb2ii | 56.39 (10) |
Rb1—S1—Rb2 | 115.27 (15) | S1i—Rb1—Rb2ii | 123.12 (14) |
Rb1i—S1—Rb2 | 66.26 (10) | S5xii—Rb1—S2 | 84.93 (15) |
Rb2ii—S1—Rb2 | 178.54 (9) | S3xiii—Rb1—S2 | 127.47 (12) |
Ga2iii—S2—Ga1 | 109.66 (19) | S4—Rb1—S2 | 62.32 (13) |
Ga2iii—S2—Rb2iv | 91.94 (17) | S1—Rb1—S2 | 62.25 (13) |
Ga1—S2—Rb2iv | 158.40 (19) | S2v—Rb1—S2 | 84.86 (15) |
Ga2iii—S2—Rb1v | 158.38 (18) | S1i—Rb1—S2 | 127.27 (16) |
Ga1—S2—Rb1v | 91.96 (15) | Rb2ii—Rb1—S2 | 90.04 (14) |
Rb2iv—S2—Rb1v | 66.44 (12) | S5xii—Rb1—Rb2i | 55.81 (11) |
Ga2iii—S2—Rb1 | 86.52 (17) | S3xiii—Rb1—Rb2i | 122.63 (12) |
Ga1—S2—Rb1 | 86.42 (18) | S4—Rb1—Rb2i | 57.54 (10) |
Rb2iv—S2—Rb1 | 95.23 (15) | S1—Rb1—Rb2i | 122.84 (14) |
Rb1v—S2—Rb1 | 95.14 (15) | S2v—Rb1—Rb2i | 122.89 (11) |
Ga2iii—S2—Rb1vi | 86.67 (19) | S1i—Rb1—Rb2i | 57.39 (12) |
Ga1—S2—Rb1vi | 86.29 (16) | Rb2ii—Rb1—Rb2i | 179.28 (8) |
Rb2iv—S2—Rb1vi | 95.17 (17) | S2—Rb1—Rb2i | 89.94 (16) |
Rb1v—S2—Rb1vi | 94.95 (14) | S5xii—Rb1—S2xiii | 84.74 (14) |
Rb1—S2—Rb1vi | 167.74 (14) | S3xiii—Rb1—S2xiii | 62.13 (12) |
Ga1—S3—Ga1vii | 105.0 (4) | S4—Rb1—S2xiii | 126.88 (12) |
Ga1—S3—Rb1iii | 145.04 (12) | S1—Rb1—S2xiii | 127.36 (16) |
Ga1vii—S3—Rb1iii | 96.21 (13) | S2v—Rb1—S2xiii | 85.05 (14) |
Ga1—S3—Rb1vi | 96.21 (13) | S1i—Rb1—S2xiii | 61.90 (13) |
Ga1vii—S3—Rb1vi | 145.04 (12) | Rb2ii—Rb1—S2xiii | 90.16 (16) |
Rb1iii—S3—Rb1vi | 80.8 (2) | S2—Rb1—S2xiii | 167.74 (14) |
Ga1—S3—Rb2vii | 94.16 (14) | Rb2i—Rb1—S2xiii | 89.70 (14) |
Ga1vii—S3—Rb2vii | 84.96 (12) | S5xii—Rb1—Ga1v | 33.47 (9) |
Rb1iii—S3—Rb2vii | 115.44 (18) | S3xiii—Rb1—Ga1v | 130.66 (11) |
Rb1vi—S3—Rb2vii | 65.77 (10) | S4—Rb1—Ga1v | 130.10 (11) |
Ga1—S3—Rb2 | 84.96 (12) | S1—Rb1—Ga1v | 130.66 (10) |
Ga1vii—S3—Rb2 | 94.16 (14) | S2v—Rb1—Ga1v | 33.61 (9) |
Rb1iii—S3—Rb2 | 65.77 (10) | S1i—Rb1—Ga1v | 129.79 (10) |
Rb1vi—S3—Rb2 | 115.44 (18) | Rb2ii—Rb1—Ga1v | 90.00 (9) |
Rb2vii—S3—Rb2 | 178.5 (3) | S2—Rb1—Ga1v | 83.83 (11) |
Ga2viii—S4—Ga2iii | 105.2 (3) | Rb2i—Rb1—Ga1v | 89.28 (9) |
Ga2viii—S4—Rb1 | 145.46 (12) | S2xiii—Rb1—Ga1v | 83.91 (11) |
Ga2iii—S4—Rb1 | 95.86 (13) | S5xii—Rb1—Rb1i | 145.93 (11) |
Ga2viii—S4—Rb1i | 95.86 (13) | S3xiii—Rb1—Rb1i | 49.61 (11) |
Ga2iii—S4—Rb1i | 145.46 (12) | S4—Rb1—Rb1i | 49.63 (10) |
Rb1—S4—Rb1i | 80.7 (2) | S1—Rb1—Rb1i | 49.92 (10) |
Ga2viii—S4—Rb2i | 84.79 (12) | S2v—Rb1—Rb1i | 146.99 (9) |
Ga2iii—S4—Rb2i | 93.93 (14) | S1i—Rb1—Rb1i | 49.63 (10) |
Rb1—S4—Rb2i | 66.44 (10) | Rb2ii—Rb1—Rb1i | 90.60 (9) |
Rb1i—S4—Rb2i | 115.33 (17) | S2—Rb1—Rb1i | 96.38 (11) |
Ga2viii—S4—Rb2 | 93.93 (14) | Rb2i—Rb1—Rb1i | 90.12 (9) |
Ga2iii—S4—Rb2 | 84.79 (12) | S2xiii—Rb1—Rb1i | 95.87 (11) |
Rb1—S4—Rb2 | 115.33 (17) | Ga1v—Rb1—Rb1i | 179.36 (6) |
Rb1i—S4—Rb2 | 66.44 (10) | S5ix—Rb2—S2xiv | 67.44 (14) |
Rb2i—S4—Rb2 | 177.9 (3) | S5ix—Rb2—S1iii | 147.42 (12) |
Ga2—S5—Ga1vii | 105.66 (19) | S2xiv—Rb2—S1iii | 103.87 (15) |
Ga2—S5—Rb2ix | 92.91 (15) | S5ix—Rb2—S1 | 102.77 (14) |
Ga1vii—S5—Rb2ix | 161.43 (18) | S2xiv—Rb2—S1 | 147.08 (14) |
Ga2—S5—Rb1x | 160.98 (19) | S1iii—Rb2—S1 | 99.80 (11) |
Ga1vii—S5—Rb1x | 93.35 (17) | S5ix—Rb2—S3 | 147.30 (14) |
Rb2ix—S5—Rb1x | 68.08 (12) | S2xiv—Rb2—S3 | 103.75 (14) |
Ga2—S5—Rb2xi | 86.04 (18) | S1iii—Rb2—S3 | 64.22 (16) |
Ga1vii—S5—Rb2xi | 85.62 (17) | S1—Rb2—S3 | 66.80 (16) |
Rb2ix—S5—Rb2xi | 95.65 (15) | S5ix—Rb2—S4 | 102.71 (13) |
Rb1x—S5—Rb2xi | 95.36 (15) | S2xiv—Rb2—S4 | 147.29 (17) |
Ga2—S5—Rb2 | 86.14 (16) | S1iii—Rb2—S4 | 66.92 (16) |
Ga1vii—S5—Rb2 | 86.04 (18) | S1—Rb2—S4 | 64.09 (15) |
Rb2ix—S5—Rb2 | 95.60 (14) | S3—Rb2—S4 | 99.90 (11) |
Rb1x—S5—Rb2 | 95.58 (17) | S5ix—Rb2—Rb1iii | 124.61 (11) |
Rb2xi—S5—Rb2 | 166.60 (14) | S2xiv—Rb2—Rb1iii | 57.17 (11) |
S1—Ga1—S3 | 112.65 (17) | S1iii—Rb2—Rb1iii | 56.46 (10) |
S1—Ga1—S5vii | 111.1 (2) | S1—Rb2—Rb1iii | 123.13 (12) |
S3—Ga1—S5vii | 110.72 (17) | S3—Rb2—Rb1iii | 56.34 (14) |
S1—Ga1—S2 | 107.31 (17) | S4—Rb2—Rb1iii | 123.38 (15) |
S3—Ga1—S2 | 107.2 (2) | S5ix—Rb2—Rb1i | 56.11 (10) |
S5vii—Ga1—S2 | 107.61 (17) | S2xiv—Rb2—Rb1i | 123.55 (13) |
S1—Ga1—Rb2 | 60.04 (16) | S1iii—Rb2—Rb1i | 122.94 (11) |
S3—Ga1—Rb2 | 60.04 (9) | S1—Rb2—Rb1i | 56.35 (11) |
S5vii—Ga1—Rb2 | 155.81 (13) | S3—Rb2—Rb1i | 123.14 (16) |
S2—Ga1—Rb2 | 96.58 (14) | S4—Rb2—Rb1i | 56.02 (13) |
S1—Ga1—Rb1v | 123.75 (13) | Rb1iii—Rb2—Rb1i | 179.28 (8) |
S3—Ga1—Rb1v | 123.48 (12) | S5ix—Rb2—S5viii | 84.35 (15) |
S5vii—Ga1—Rb1v | 53.18 (13) | S2xiv—Rb2—S5viii | 84.47 (15) |
S2—Ga1—Rb1v | 54.43 (12) | S1iii—Rb2—S5viii | 63.26 (13) |
Rb2—Ga1—Rb1v | 151.01 (7) | S1—Rb2—S5viii | 127.03 (12) |
S1—Ga1—Rb2ii | 53.82 (15) | S3—Rb2—S5viii | 127.27 (18) |
S3—Ga1—Rb2ii | 149.91 (18) | S4—Rb2—S5viii | 63.16 (14) |
S5vii—Ga1—Rb2ii | 61.61 (15) | Rb1iii—Rb2—S5viii | 90.27 (15) |
S2—Ga1—Rb2ii | 102.73 (16) | Rb1i—Rb2—S5viii | 89.76 (14) |
Rb2—Ga1—Rb2ii | 113.86 (7) | S5ix—Rb2—S5 | 84.40 (14) |
Rb1v—Ga1—Rb2ii | 77.17 (6) | S2xiv—Rb2—S5 | 84.51 (15) |
S1—Ga2—S4xi | 112.69 (17) | S1iii—Rb2—S5 | 127.14 (13) |
S1—Ga2—S5 | 110.6 (2) | S1—Rb2—S5 | 62.90 (12) |
S4xi—Ga2—S5 | 110.92 (16) | S3—Rb2—S5 | 63.10 (15) |
S1—Ga2—S2ii | 107.36 (17) | S4—Rb2—S5 | 126.76 (17) |
S4xi—Ga2—S2ii | 107.3 (2) | Rb1iii—Rb2—S5 | 90.14 (14) |
S5—Ga2—S2ii | 107.71 (17) | Rb1i—Rb2—S5 | 90.00 (15) |
S1—Ga2—Rb2ii | 59.98 (15) | S5viii—Rb2—S5 | 166.60 (14) |
S4xi—Ga2—Rb2ii | 60.13 (9) | S5ix—Rb2—Ga2iii | 136.56 (10) |
S5—Ga2—Rb2ii | 155.54 (12) | S2xiv—Rb2—Ga2iii | 137.47 (15) |
S2ii—Ga2—Rb2ii | 96.75 (15) | S1iii—Rb2—Ga2iii | 34.96 (8) |
S1—Ga2—Rb2ix | 123.55 (12) | S1—Rb2—Ga2iii | 71.77 (11) |
S4xi—Ga2—Rb2ix | 123.64 (13) | S3—Rb2—Ga2iii | 71.82 (11) |
S5—Ga2—Rb2ix | 53.45 (12) | S4—Rb2—Ga2iii | 35.09 (10) |
S2ii—Ga2—Rb2ix | 54.26 (14) | Rb1iii—Rb2—Ga2iii | 89.81 (10) |
Rb2ii—Ga2—Rb2ix | 151.01 (6) | Rb1i—Rb2—Ga2iii | 89.53 (10) |
S1—Ga2—Rb2xi | 149.42 (12) | S5viii—Rb2—Ga2iii | 68.31 (11) |
S4xi—Ga2—Rb2xi | 53.75 (8) | S5—Rb2—Ga2iii | 125.08 (11) |
S5—Ga2—Rb2xi | 61.37 (15) | S5ix—Rb2—Ga1 | 136.45 (12) |
S2ii—Ga2—Rb2xi | 103.08 (16) | S2xiv—Rb2—Ga1 | 137.36 (12) |
Rb2ii—Ga2—Rb2xi | 113.86 (10) | S1iii—Rb2—Ga1 | 71.83 (12) |
Rb2ix—Ga2—Rb2xi | 77.40 (11) | S1—Rb2—Ga1 | 34.92 (8) |
S5xii—Rb1—S3xiii | 146.70 (13) | S3—Rb2—Ga1 | 35.01 (11) |
S5xii—Rb1—S4 | 103.73 (15) | S4—Rb2—Ga1 | 71.79 (11) |
S3xiii—Rb1—S4 | 99.23 (13) | Rb1iii—Rb2—Ga1 | 89.75 (11) |
S5xii—Rb1—S1 | 147.00 (16) | Rb1i—Rb2—Ga1 | 89.64 (11) |
S3xiii—Rb1—S1 | 65.39 (14) | S5viii—Rb2—Ga1 | 125.32 (10) |
S4—Rb1—S1 | 65.30 (14) | S5—Rb2—Ga1 | 68.07 (10) |
S5xii—Rb1—S2v | 67.08 (14) | Ga2iii—Rb2—Ga1 | 57.01 (8) |
S3xiii—Rb1—S2v | 104.40 (15) | | |
Symmetry codes: (i) −x+1, y, −z+1/2; (ii) −x+1/2, y−1/2, −z+1/2; (iii) −x+1/2, y+1/2, −z+1/2; (iv) x, −y+1, z−1/2; (v) −x+1/2, −y+1/2, −z; (vi) x−1/2, y+1/2, z; (vii) −x, y, −z+1/2; (viii) x+1/2, y+1/2, z; (ix) −x+1/2, −y+1/2, −z+1; (x) x−1/2, −y+1/2, z+1/2; (xi) x−1/2, y−1/2, z; (xii) x+1/2, −y+1/2, z−1/2; (xiii) x+1/2, y−1/2, z; (xiv) x, −y+1, z+1/2. |