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Information card for entry 4004099
Preview
| Coordinates | 4004099.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Br3 Li6 N |
|---|---|
| Calculated formula | Br3.01152 Li6.04854 N0.99616 |
| Title of publication | Rock-Salt-Ordered Nitrohalide Double Antiperovskites: Theoretical Design and Experimental Verification |
| Authors of publication | Mi, Ruixiang; Hu, Sanlue; Xiao, Zewen |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2022 |
| Journal volume | 34 |
| Journal issue | 20 |
| Pages of publication | 9098 - 9103 |
| a | 8.9254 ± 0.0005 Å |
| b | 8.9254 ± 0.0005 Å |
| c | 8.9254 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 711.02 ± 0.07 Å3 |
| Number of distinct elements | 3 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor R(I) for significantly intense reflections | 0.8827 |
| Method of determination | powder diffraction |
| Diffraction radiation type | X-ray |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298370 (current) | 2025-03-11 | cif/ Adding structures of 4004099, 4004100, 4004101 via cif-deposit CGI script. |
4004099.cif |
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Users of the data should acknowledge the original authors of the
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