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Information card for entry 2104973
Preview
| Coordinates | 2104973.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | Ca H1.25 O4.625 Se |
|---|---|
| Calculated formula | Ca H1.25 O4.625 Se |
| Title of publication | CaSeO~4~·0.625H~2~O ‒ water channel occupation in a bassanite related structure |
| Authors of publication | Fritz, Susanne; Schmidt, Horst; Paschke, Iris; Magdysyuk, Oxana V.; Dinnebier, Robert E.; Freyer, Daniela; Voigt, Wolfgang |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | 293 - 301 |
| a | 14.1035 ± 0.0007 Å |
| b | 14.1035 ± 0.0007 Å |
| c | 13.3622 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2301.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Cell measurement pressure | 101.3 kPa |
| Number of distinct elements | 4 |
| Space group number | 154 |
| Hermann-Mauguin space group symbol | P 32 2 1 |
| Hall space group symbol | P 32 2" |
| Residual factor for all reflections | 0.0433 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0817 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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