Information card for entry 7215439
| Formula |
Br4 Cd4 Hg4 S4 |
| Calculated formula |
Br4 Cd4 Hg4 S4 |
| Title of publication |
Synthesis, crystal and band structures, and optical properties of a novel quaternary mercury and cadmium chalcogenidehalide: (Hg2Cd2S2Br)Br |
| Authors of publication |
Zou, Jian-Ping; Peng, Qiang; Luo, Sheng-Lian; Tang, Xin-Hua; Zhang, Ai-Qin; Zeng, Gui-Sheng; Guo, Guo-Cong |
| Journal of publication |
CrystEngComm |
| Year of publication |
2011 |
| Journal volume |
13 |
| Journal issue |
11 |
| Pages of publication |
3862 |
| a |
9.0533 ± 0.0015 Å |
| b |
18.467 ± 0.003 Å |
| c |
4.6354 ± 0.001 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
775 ± 0.2 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
65 |
| Hermann-Mauguin space group symbol |
C m m m |
| Hall space group symbol |
-C 2 2 |
| Residual factor for all reflections |
0.0624 |
| Residual factor for significantly intense reflections |
0.0537 |
| Weighted residual factors for significantly intense reflections |
0.1566 |
| Weighted residual factors for all reflections included in the refinement |
0.1615 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.001 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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