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Information card for entry 4003004
Preview
| Coordinates | 4003004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | As8 Mg3 Si3 |
|---|---|
| Calculated formula | As8 Mg3 Si3 |
| Title of publication | Chemical Flexibility of Mg in Pnictide Materials: Structure and Properties Diversity |
| Authors of publication | Wang, Jian; Mark, Justin; Woo, Katherine E.; Voyles, Jackson; Kovnir, Kirill |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| Journal volume | 31 |
| Journal issue | 20 |
| Pages of publication | 8286 |
| a | 12.5046 ± 0.0006 Å |
| b | 7.6471 ± 0.0003 Å |
| c | 12.9975 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1242.87 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0137 |
| Residual factor for significantly intense reflections | 0.012 |
| Weighted residual factors for significantly intense reflections | 0.0268 |
| Weighted residual factors for all reflections included in the refinement | 0.0283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.273 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220427 (current) | 2019-10-29 | cif/ Adding structures of 4003004 via cif-deposit CGI script. |
4003004.cif |
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