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Information card for entry 4003874
Preview
| Coordinates | 4003874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | F4 Mo O2 Sr |
|---|---|
| Calculated formula | F4 Mo O2 Sr |
| Title of publication | Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph |
| Authors of publication | Jo, Hongil; Lee, Min Hyung; Ok, Kang Min |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 18.6213 ± 0.0004 Å |
| b | 4.872 ± 0.0001 Å |
| c | 9.8741 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 895.81 ± 0.03 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0315 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0536 |
| Weighted residual factors for all reflections included in the refinement | 0.0553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262242 (current) | 2021-02-26 | cif/ Adding structures of 4003874, 4003875, 4003876 via cif-deposit CGI script. |
4003874.cif |
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