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Information card for entry 4001658
Preview
| Coordinates | 4001658.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | calcium copper sulfide |
|---|---|
| Formula | Ca Cu2 S2 |
| Calculated formula | Ca Cu2 S2 |
| Title of publication | Ammonothermal Crystal Growth of Sulfide Materials |
| Authors of publication | Purdy, Andrew P. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 1998 |
| Journal volume | 10 |
| Journal issue | 3 |
| Pages of publication | 692 |
| a | 3.94 ± 0.0004 Å |
| b | 3.94 ± 0.0004 Å |
| c | 6.523 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 87.69 ± 0.02 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 164 |
| Hermann-Mauguin space group symbol | P -3 m 1 |
| Hall space group symbol | -P 3 2" |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for all reflections | 0.139 |
| Weighted residual factors for significantly intense reflections | 0.1283 |
| Goodness-of-fit parameter for all reflections | 1.128 |
| Goodness-of-fit parameter for significantly intense reflections | 1.153 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.