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Information card for entry 2108804
Preview
| Coordinates | 2108804.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | As0.195 O21 P0.805 Pb2 U3 |
|---|---|
| Calculated formula | As1.194 O21 P0.806 Pb2 U3 |
| Title of publication | Crystal structure of the uranyl arsenate mineral hügelite, Pb~2~(UO~2~)~3~O~2~(AsO~4~)~2~(H~2~O)~5~, revisited: a correct unit cell, twinning and hydrogen bonding |
| Authors of publication | Plášil, Jakub; Petříček, Václav; Škácha, Pavel |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 3 |
| a | 7.0189 ± 0.0007 Å |
| b | 17.137 ± 0.001 Å |
| c | 8.131 ± 0.001 Å |
| α | 90° |
| β | 108.9 ± 0.01° |
| γ | 90° |
| Cell volume | 925.29 ± 0.17 Å3 |
| Cell temperature | 296.8 K |
| Ambient diffraction temperature | 296.8 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.1591 |
| Residual factor for significantly intense reflections | 0.0763 |
| Weighted residual factors for significantly intense reflections | 0.1837 |
| Weighted residual factors for all reflections included in the refinement | 0.2263 |
| Goodness-of-fit parameter for significantly intense reflections | 1.6968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.49 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265242 (current) | 2021-05-15 | cif/ hkl/ Adding structures of 2108804 via cif-deposit CGI script. |
2108804.cif |
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