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Information card for entry 4349389
Preview
| Coordinates | 4349389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Mineral name | ?NaCs(B12H12)? |
|---|---|
| Formula | B12 Cs H12 Na |
| Calculated formula | B12 Cs H12 Na |
| SMILES | [BH]1234[BH]567[BH]891[BH]1%10%11[BH]%12%13%14[BH]%15%16%17[BH]25([BH]6%12%15[BH]781%13)[BH]13%16[BH]49%10[BH]%11%14%171.[Na+].[Cs+] |
| 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 | 12.4432 ± 0.0004 Å |
| b | 7.6628 ± 0.0003 Å |
| c | 12.5705 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1198.59 ± 0.07 Å3 |
| Cell temperature | 690 K |
| Ambient diffraction temperature | 690 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n 21 a |
| Hall space group symbol | P -2ac -2n |
| Residual factor R(I) for significantly intense reflections | 0.02 |
| Goodness-of-fit parameter for all reflections | 19 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.69852 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233923 (current) | 2019-11-23 | cif/ Adding structures of 4349389 via cif-deposit CGI script. |
4349389.cif |
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