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Information card for entry 2012558
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| Coordinates | 2012558.cif |
|---|---|
| Structure factors | 2012558.hkl |
| Original IUCr paper | HTML |
| Chemical name | rubidium manganese hexathiodiphosphate |
|---|---|
| Formula | Mn P2 Rb2 S6 |
| Calculated formula | Mn P2 Rb2 S6 |
| SMILES | [Mn]12[S]=P(S1)(S3)P1(S2)=[S][Mn]234(S1)[S]=P(S4)([S])P(S2)([S])=S.[Rb+].[Rb+].[Rb+].[Rb+] |
| Title of publication | High-temperature synthesis of Rb~2~MnP~2~S~6~ in molten salt medium |
| Authors of publication | Taylor, Stephen P.; Krawiec, Mariusz; Hwu, Shiou-Jyh |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 3 |
| Pages of publication | i27 - i28 |
| a | 6.157 ± 0.0012 Å |
| b | 12.308 ± 0.003 Å |
| c | 7.561 ± 0.0015 Å |
| α | 90° |
| β | 97.74 ± 0.03° |
| γ | 90° |
| Cell volume | 567.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1349 |
| Weighted residual factors for all reflections included in the refinement | 0.1369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.318 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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