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Information card for entry 2108329
Preview
| Coordinates | 2108329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | barium lithium fluoride oxide |
|---|---|
| Formula | Ba F2.8 Li O0.1 |
| Calculated formula | Ba F2.7999 Li O0.0999 |
| Title of publication | The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways |
| Authors of publication | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 6 |
| a | 3.997 ± 0.0008 Å |
| b | 3.997 ± 0.0008 Å |
| c | 3.997 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 63.86 ± 0.02 Å3 |
| Cell temperature | 279 ± 2 K |
| Ambient diffraction temperature | 279 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 221 |
| Hermann-Mauguin space group symbol | P m -3 m |
| Hall space group symbol | -P 4 2 3 |
| Residual factor for all reflections | 0.0097 |
| Residual factor for significantly intense reflections | 0.0097 |
| Weighted residual factors for significantly intense reflections | 0.0225 |
| Weighted residual factors for all reflections included in the refinement | 0.0225 |
| Goodness-of-fit parameter for significantly intense reflections | 1.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212105 (current) | 2018-11-22 | cif/ Adding structures of 2108325, 2108326, 2108327, 2108328, 2108329 via cif-deposit CGI script. |
2108329.cif |
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