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Information card for entry 2105277
Preview
| Coordinates | 2105277.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | Ca5 Cl0.54 H0.46 O12.46 P3 |
|---|---|
| Calculated formula | Ca5 Cl0.544 H0.456 O12.455 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 | 9.5377 ± 0.0003 Å |
| b | 9.5377 ± 0.0003 Å |
| c | 6.7999 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 535.7 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 all reflections | 0.0288 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| 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 |
|---|---|---|---|
| 176768 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105277.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2105277.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. |
2105277.cif |
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Users of the data should acknowledge the original authors of the
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