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Information card for entry 2108665
Preview
| Coordinates | 2108665.cif |
|---|---|
| Structure factors | 2108665.hkl |
| Original paper (by DOI) | HTML |
| Formula | K2.51 Mo6 Na1.49 Ni4 O24 |
|---|---|
| Calculated formula | K2.5134 Mo6 Na1.486 Ni4 O24 |
| Title of publication | Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity |
| Authors of publication | Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| a | 14.2719 ± 0.0002 Å |
| b | 14.2719 ± 0.0002 Å |
| c | 19.8063 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3493.8 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0155 |
| Residual factor for significantly intense reflections | 0.0141 |
| Weighted residual factors for significantly intense reflections | 0.0327 |
| Weighted residual factors for all reflections included in the refinement | 0.0331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256762 (current) | 2020-09-25 | cif/ hkl/ Adding structures of 2108664, 2108665, 2108666, 2108667, 2108668, 2108669 via cif-deposit CGI script. |
2108665.cif 2108665.hkl |
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Users of the data should acknowledge the original authors of the
structural data.