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Information card for entry 2109071
Preview
| Coordinates | 2109071.cif |
|---|---|
| Structure factors | 2109071.hkl |
| Original paper (by DOI) | HTML |
| Formula | Ca4.78 Cl0.78 Na0.22 O12 P3 |
|---|---|
| Calculated formula | Ca4.78 Cl0.78 Na0.22 O12 P3 |
| Title of publication | Structures of Ca~5~(VO~4~)~3~Cl and Ca~4.78(1)~Na~0.22~(PO~4~)~3~Cl~0.78~: positions of channel anions and repulsion on the anion in apatite-type compounds |
| Authors of publication | Matsuura, Mimiko; Okudera, Hiroki |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 5 |
| a | 9.5773 ± 0.0005 Å |
| b | 9.5773 ± 0.0005 Å |
| c | 6.8033 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 540.43 ± 0.06 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 5 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for all reflections included in the refinement | 0.0286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8593 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277758 (current) | 2022-09-10 | cif/ hkl/ Adding structures of 2109070, 2109071 via cif-deposit CGI script. |
2109071.cif 2109071.hkl |
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