Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4003645
Preview
| Coordinates | 4003645.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 | 8.98497 ± 0.0001 Å |
| b | 9.07444 ± 0.00007 Å |
| c | 15.61097 ± 0.00016 Å |
| α | 105.583 ± 0.0008° |
| β | 90.9628 ± 0.0009° |
| γ | 118.507 ± 0.001° |
| Cell volume | 1061.45 ± 0.02 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 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 | 0.0379 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0977 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255175 (current) | 2020-08-08 | cif/ Adding structures of 4003645 via cif-deposit CGI script. |
4003645.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.