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Information card for entry 4349387
Preview
| Coordinates | 4349387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Mineral name | ?m-NaCs(B12H12)? |
|---|---|
| Formula | B12 Cs H12 Na |
| Calculated formula | B12 Cs H12 Na |
| SMILES | [Cs+].[BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%17%18%11[BH]58%12[BH]16%17[BH]3%15%18[BH]12%14[BH]479[BH]%10%13%161.[Na+] |
| Title of publication | Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors. |
| Authors of publication | Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 9 |
| Pages of publication | 5006 - 5016 |
| a | 7.6227 ± 0.0007 Å |
| b | 12.1866 ± 0.001 Å |
| c | 12.3024 ± 0.0011 Å |
| α | 90° |
| β | 92.353 ± 0.006° |
| γ | 90° |
| Cell volume | 1141.87 ± 0.17 Å3 |
| Cell temperature | 433 K |
| Ambient diffraction temperature | 433 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor R(I) for significantly intense reflections | 0.08 |
| Goodness-of-fit parameter for all reflections | 93 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.81984 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233918 (current) | 2019-11-23 | cif/ Adding structures of 4349387 via cif-deposit CGI script. |
4349387.cif |
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