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Information card for entry 4003875
Preview
| Coordinates | 4003875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba F4 Mo O2 |
|---|---|
| Calculated formula | Ba F4 Mo O2 |
| 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 | 19.436 ± 0.0005 Å |
| b | 5.00774 ± 0.00014 Å |
| c | 10.2481 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 997.45 ± 0.05 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 | 0.0445 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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. |
4003875.cif |
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