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Information card for entry 2021000
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| Coordinates | 2021000.cif |
|---|---|
| Structure factors | 2021000.hkl |
| Original IUCr paper | HTML |
| Chemical name | Strontium hafnium hexafluoride |
|---|---|
| Formula | F12 Hf2 Sr2 |
| Calculated formula | F12 Hf2 Sr2 |
| SMILES | [Hf]1(F)(F)([F][Hf](F)([F]1)(F)(F)(F)F)(F)(F)F.[Sr+2].[Sr+2] |
| Title of publication | High-temperature monoclinic α-SrHfF~6~, and isostructural α-SrZrF~6~: associating Hf~2~F~12~ bipolyhedra and SrF~8~ snub disphenoids |
| Authors of publication | Laval, Jean-Paul; Mayet, Richard |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| a | 5.9762 ± 0.001 Å |
| b | 5.9949 ± 0.001 Å |
| c | 14.426 ± 0.003 Å |
| α | 90° |
| β | 99.36 ± 0.05° |
| γ | 90° |
| Cell volume | 509.96 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0199 |
| Residual factor for significantly intense reflections | 0.0154 |
| Weighted residual factors for all reflections included in the refinement | 0.0361 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205948 (current) | 2018-01-31 | cif/ hkl/ Adding structures of 2021000 via cif-deposit CGI script. |
2021000.cif 2021000.hkl |
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Users of the data should acknowledge the original authors of the
structural data.