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Information card for entry 2105274
Preview
| Coordinates | 2105274.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | Ca5 Cl O12 P3 |
|---|---|
| Calculated formula | Ca5 Cl O12 P3 |
| Title of publication | Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight |
| Authors of publication | García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | 467 - 479 |
| a | 9.6307 ± 0.0004 Å |
| b | 6.7425 ± 0.0003 Å |
| c | 19.2602 ± 0.0007 Å |
| α | 90° |
| β | 119.969 ± 0.001° |
| γ | 90° |
| Cell volume | 1083.44 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2105274.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2105274.cif |
| 70360 | 2012-12-21 | cif/ Adding structures of 2105261, 2105262, 2105263, 2105264, 2105265, 2105266, 2105267, 2105268, 2105269, 2105270, 2105271, 2105272, 2105273, 2105274, 2105275, 2105276, 2105277, 2105278, 2105279, 2105280, 2105281, 2105282, 2105283, 2105284, 2105285 via cif-deposit CGI script. |
2105274.cif |
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Users of the data should acknowledge the original authors of the
structural data.