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Information card for entry 1550598
Preview
| Coordinates | 1550598.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Mineral name | Kaolinite |
|---|---|
| Formula | Al2 H4 O9 Si2 |
| Calculated formula | Al2 H4 O9 Si2 |
| Title of publication | First principles study of structural properties and electric field gradients in kaolinite |
| Authors of publication | Richard, D.; Rendtorff, N. M. |
| Journal of publication | Applied Clay Science |
| Year of publication | 2019 |
| Journal volume | 169 |
| Pages of publication | 67 - 73 |
| a | 5.17375 Å |
| b | 8.98502 Å |
| c | 7.35224 Å |
| α | 91.6843° |
| β | 105.128° |
| γ | 89.7549° |
| Cell volume | 329.789 Å3 |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213663 (current) | 2019-02-15 | cif/ Updating files of 1550598 Original log message: Changed to the most representative structure of the paper, WC-GGA vcrelaxed (doi 10.1016/j.clay.2018.12.013 ) |
1550598.cif |
| 213662 | 2019-02-15 | cif/ Adding structures of 1550598 via cif-deposit CGI script. |
1550598.cif |
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Users of the data should acknowledge the original authors of the
structural data.