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Information card for entry 4003650
Preview
| Coordinates | 4003650.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H24 Mg2 N6 O12 P6 |
|---|---|
| Calculated formula | C2 H24 Mg2 N6 O12 P6 |
| Title of publication | Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite |
| Authors of publication | Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 8.99336 ± 0.00008 Å |
| b | 9.06691 ± 0.00008 Å |
| c | 15.65427 ± 0.00014 Å |
| α | 105.6 ± 0.0008° |
| β | 91.0186 ± 0.0008° |
| γ | 118.496 ± 0.0009° |
| Cell volume | 1064.3 ± 0.02 Å3 |
| Cell temperature | 320 ± 2 K |
| Ambient diffraction temperature | 320 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1166 |
| Weighted residual factors for all reflections included in the refinement | 0.117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255180 (current) | 2020-08-08 | cif/ Adding structures of 4003650 via cif-deposit CGI script. |
4003650.cif |
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Users of the data should acknowledge the original authors of the
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