Information card for entry 7709600
| Formula |
Cl2 Cs2 In P S4 |
| Calculated formula |
Cl2 Cs2 In P S4 |
| Title of publication |
The synthesis and structure-property relation analysis of metal chalcohalide crystals Cs2InPS4X2 (X = Cl, Br) with mixed anions |
| Authors of publication |
Tang, Chunlan; Xing, Wen-Hao; Wang, Naizheng; Tang, Jian; Lin, Zheshuai; Wu, Jieyun; Yin, Wenlong; Bin, Kang |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2022 |
| a |
9.5832 ± 0.0004 Å |
| b |
7.7966 ± 0.0003 Å |
| c |
16.4343 ± 0.0006 Å |
| α |
90° |
| β |
95.978 ± 0.004° |
| γ |
90° |
| Cell volume |
1221.23 ± 0.08 Å3 |
| Cell temperature |
295.03 ± 0.1 K |
| Ambient diffraction temperature |
295.03 ± 0.1 K |
| Number of distinct elements |
5 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.0255 |
| Residual factor for significantly intense reflections |
0.0221 |
| Weighted residual factors for significantly intense reflections |
0.0501 |
| Weighted residual factors for all reflections included in the refinement |
0.0511 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.113 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7709600.html
