Information card for entry 7062333
| Formula |
Ba Ce Cu S3 |
| Calculated formula |
Ba Ce Cu S3 |
| Title of publication |
Synthesis, crystal structure, DFT, and photovoltaic studies of BaCeCuS3 |
| Authors of publication |
Shahid, Omair; Yadav, Sweta; Maity, Debanjan; Deepa, Melepurath; Niranjan, Manish K.; Prakash, Jai |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2023 |
| Journal volume |
47 |
| Journal issue |
11 |
| Pages of publication |
5378 - 5389 |
| a |
10.674 ± 0.0013 Å |
| b |
4.12 ± 0.0006 Å |
| c |
13.409 ± 0.002 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
589.69 ± 0.14 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
62 |
| Hermann-Mauguin space group symbol |
P n m a |
| Hall space group symbol |
-P 2ac 2n |
| Residual factor for all reflections |
0.0249 |
| Residual factor for significantly intense reflections |
0.0211 |
| Weighted residual factors for significantly intense reflections |
0.0476 |
| Weighted residual factors for all reflections included in the refinement |
0.0491 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.068 |
| 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/7062333.html
