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Information card for entry 2021990
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| Coordinates | 2021990.cif |
|---|---|
| Structure factors | 2021990.hkl |
| Original IUCr paper | HTML |
| Common name | Potassium manganese pyrophosphate hydrate |
|---|---|
| Chemical name | Dipotassium trimanganese dipyrophosphate dihydrate |
| Formula | H4 K2 Mn3 O16 P4 |
| Calculated formula | H4 K2 Mn3 O16 P4 |
| Title of publication | Novel K/Mn phosphate hydrates, K~2~Mn~3~(H~2~O)~2~[P~2~O~7~]~2~ and KMn(H~2~O)~2~[Al~2~(PO~4~)~3~]: hydrothermal synthesis and crystal chemistry |
| Authors of publication | Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.; Simonov, Sergey V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 3 |
| a | 9.1944 ± 0.0001 Å |
| b | 8.3134 ± 0.0001 Å |
| c | 9.3798 ± 0.0002 Å |
| α | 90° |
| β | 98.924 ± 0.001° |
| γ | 90° |
| Cell volume | 708.282 ± 0.019 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0271 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for significantly intense reflections | 0.0497 |
| Weighted residual factors for all reflections included in the refinement | 0.0511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248485 (current) | 2020-02-27 | cif/ hkl/ Adding structures of 2021990, 2021991 via cif-deposit CGI script. |
2021990.cif 2021990.hkl |
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Users of the data should acknowledge the original authors of the
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