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Information card for entry 2108803
Preview
| Coordinates | 2108803.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | As0.201 H10 O21 P0.799 Pb2 U3 |
|---|---|
| Calculated formula | As1.166 H10 O21 P0.834 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 | 7.0258 ± 0.0003 Å |
| b | 17.1769 ± 0.0005 Å |
| c | 8.1463 ± 0.0007 Å |
| α | 90° |
| β | 108.886 ± 0.005° |
| γ | 90° |
| Cell volume | 930.18 ± 0.1 Å3 |
| Cell temperature | 297.1 ± 0.4 K |
| Ambient diffraction temperature | 297.1 K |
| Number of distinct elements | 6 |
| 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 | 0.075 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1181 |
| Weighted residual factors for all reflections included in the refinement | 0.1373 |
| Goodness-of-fit parameter for significantly intense reflections | 1.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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 |
|---|---|---|---|
| 265241 (current) | 2021-05-15 | cif/ hkl/ Adding structures of 2108803 via cif-deposit CGI script. |
2108803.cif |
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