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Information card for entry 4124117
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| Coordinates | 4124117.cif |
|---|
| Chemical name | Si O2 |
|---|---|
| Formula | O2.33333 Si |
| Calculated formula | O2.33333 Si |
| Title of publication | Structure, vibrational analysis, and insights into host-guest interactions in as-synthesized pure silica ITQ-12 zeolite by periodic B3LYP calculations |
| Authors of publication | Zicovich-Wilson, C.M.; Durand-Niconoff, J.S.; San-Roman, M.L.; Camblor, M.A.; Pascale, F. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 11512 - 11523 |
| a | 9.115429 Å |
| b | 9.115429 Å |
| c | 8.8639 Å |
| α | 81.3651° |
| β | 98.6349° |
| γ | 69.0757° |
| Cell volume | 663.38 Å3 |
| Number of distinct elements | 2 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| 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. |
4124117.cif |
| 151991 | 2015-07-14 | cif/ Adding structures of 4124117 via cif-deposit CGI script. |
4124117.cif |
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Users of the data should acknowledge the original authors of the
structural data.