Information card for entry 7707020
| Formula |
Ba4 F3 Ga S4 |
| Calculated formula |
Ba4 F3 Ga S4 |
| Title of publication |
Synthesis, characterization and theoretical investigation of a new chalcohalide, Ba<sub>4</sub>GaS<sub>4</sub>F<sub>3</sub>. |
| Authors of publication |
Gao, Hongbo; Chen, Ruijiao; Zhang, Kewang; Abudurusuli, Ailijiang; Lai, Kangrong; Li, Junjie |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2021 |
| Journal volume |
50 |
| Journal issue |
18 |
| Pages of publication |
6315 - 6320 |
| a |
16.628 ± 0.005 Å |
| b |
16.628 ± 0.005 Å |
| c |
17.139 ± 0.01 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
4739 ± 3 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296.15 K |
| Number of distinct elements |
4 |
| Space group number |
88 |
| Hermann-Mauguin space group symbol |
I 41/a :2 |
| Hall space group symbol |
-I 4ad |
| Residual factor for all reflections |
0.0291 |
| Residual factor for significantly intense reflections |
0.0218 |
| Weighted residual factors for significantly intense reflections |
0.0385 |
| Weighted residual factors for all reflections included in the refinement |
0.0409 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.036 |
| 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/7707020.html
