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Information card for entry 2106778
Preview
| Coordinates | 2106778.cif |
|---|---|
| Structure factors | 2106778.hkl |
| Original paper (by DOI) | HTML |
| Formula | As2 Bi30 O77 S9 |
|---|---|
| Calculated formula | As0.42 Bi7.5 O15.3 S2.33 |
| Title of publication | Fluorite-related one-dimensional units in natural bismuth oxysulfates: the crystal structures of Bi~14~O~16~(SO~4~)~5~ and Bi~30~O~33~(SO~4~)~9~(AsO~4~)~2~ |
| Authors of publication | Pinto, Daniela; Garavelli, Anna; Bindi, Luca |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| a | 5.67 ± 0.003 Å |
| b | 13.9408 ± 0.0009 Å |
| c | 22.7908 ± 0.0018 Å |
| α | 80.903 ± 0.005° |
| β | 82.854 ± 0.014° |
| γ | 78.27 ± 0.02° |
| Cell volume | 1733.7 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.239 |
| Residual factor for significantly intense reflections | 0.1189 |
| Weighted residual factors for significantly intense reflections | 0.2719 |
| Weighted residual factors for all reflections included in the refinement | 0.3741 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201369 (current) | 2017-09-27 | cif/ (antanas@echidna.ibt.lt) Removing the _chemical_melting_point data item in entries 1504567, 1504568, 1507448, 1520058, 1520060, 1520061, 2013332, 2017554, 2106777, 2106778, 2202075, 4315432, 4315497, 4341465, 7215126, 7223978, 8100256, 8100736, 8102602, 8103310 since it contained the _chemical_formula_sum data item values and not the melting temperature. |
2106778.cif 2106778.hkl |
| 181881 | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/67. |
2106778.cif 2106778.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2106778.cif 2106778.hkl |
| 158232 | 2015-09-23 | cif/ hkl/ Adding structures of 2106777, 2106778 via cif-deposit CGI script. |
2106778.cif 2106778.hkl |
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Users of the data should acknowledge the original authors of the
structural data.