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Information card for entry 8103630
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| Coordinates | 8103630.cif |
|---|
| Chemical name | Ca (S O4) (H2 O)2 |
|---|---|
| Formula | Ca H4 O6 S |
| Calculated formula | Ca H4 O6 S |
| SMILES | [Ca]([OH2])[OH2].S(=O)(=O)([O-])[O-] |
| Title of publication | Temperature related structural variation of the hydrous components in gypsum |
| Authors of publication | Schofield, P.F.; Stretton, I.C.; Knight, K.S.; Wilson, C.C. |
| Journal of publication | Zeitschrift fuer Kristallographie (149,1979-) |
| Year of publication | 2000 |
| Journal volume | 215 |
| Pages of publication | 707 - 710 |
| a | 5.6749 Å |
| b | 15.1427 Å |
| c | 6.5091 Å |
| α | 90° |
| β | 118.491° |
| γ | 90° |
| Cell volume | 491.607 Å3 |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/c 1 |
| Hall space group symbol | -I 2yc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
8103630.cif |
| 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. |
8103630.cif |
| 147782 | 2015-07-12 | cif/ Adding structures of 8103630 via cif-deposit CGI script. |
8103630.cif |
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Users of the data should acknowledge the original authors of the
structural data.