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Information card for entry 1521781
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| Coordinates | 1521781.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ca3 Si Br2 |
|---|---|
| Formula | Br2 Ca3 Si |
| Calculated formula | Br2 Ca3 Si |
| Title of publication | Structure prediction for crystalline Ca3 Si Br2 using an environment dependent potential |
| Authors of publication | Putz, H.; Schoen, J.C.; Jansen, M. |
| Journal of publication | Zeitschrift fuer Anorganische und Allgemeine Chemie |
| Year of publication | 1999 |
| Journal volume | 625 |
| Pages of publication | 1624 - 1630 |
| a | 4.495 Å |
| b | 4.495 Å |
| c | 19.26999 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 389.351 Å3 |
| Number of distinct elements | 3 |
| Space group number | 139 |
| Hermann-Mauguin space group symbol | I 4/m m m |
| Hall space group symbol | -I 4 2 |
| Method of determination | theoretical |
| 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. |
1521781.cif |
| 158437 | 2015-09-28 | cif/1/52/17/ Marking structures 152178[1-7] as theoretical. Adding DOIs. |
1521781.cif |
| 141995 | 2015-07-10 | cif/ Adding structures of 1521781 via cif-deposit CGI script. |
1521781.cif |
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Users of the data should acknowledge the original authors of the
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