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Information card for entry 3500014
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| Coordinates | 3500014.cif |
|---|
| Common name | Calcium dialuminate |
|---|---|
| Chemical name | tetraaluminium calcium heptaoxide |
| Mineral name | Grossite |
| Formula | Al4 Ca O7 |
| Calculated formula | Al4 Ca O7 |
| SMILES | [Al+3].[Al+3].[Al+3].[Al+3].[Ca+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2] |
| Title of publication | Average grossite crystal structure |
| Authors of publication | Efremov, V. A.; Gutnikov, S. I.; Kartashov, A. A.; Lazoryak, B.I. |
| Journal of publication | Personal communication to COD |
| Year of publication | 2012 |
| a | 12.886 ± 0.006 Å |
| b | 8.883 ± 0.0012 Å |
| c | 5.4423 ± 0.0027 Å |
| α | 90° |
| β | 106.905 ± 0.006° |
| γ | 90° |
| Cell volume | 596 ± 0.4 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180538 (current) | 2016-03-27 | cif/3/50/ (antanas@kurmis) Removing the '_publ_requested_journal' data item from entry 3500014. |
3500014.cif |
| 176722 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 3. |
3500014.cif |
| 67254 | 2012-09-20 | cif/ Adding structures of 3500014 via cif-deposit CGI script. |
3500014.cif |
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Users of the data should acknowledge the original authors of the
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