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Information card for entry 2102560
Preview
| Coordinates | 2102560.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | MPOD |
| Common name | potassium manganese trifluoride |
|---|---|
| Chemical name | potassium manganese trifluoride |
| Formula | F3 K Mn |
| Calculated formula | F3 K Mn |
| Title of publication | Electron density and electrostatic potential of KMnF~3~: A phase transition study |
| Authors of publication | Ivanov, Yury; Tanaka, Kiyoaki |
| Journal of publication | Acta Crystallographica, Section B |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 3 |
| Pages of publication | 359 - 368 |
| a | 4.185 ± 0.0007 Å |
| b | 4.185 ± 0.0007 Å |
| c | 4.185 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 73.3 ± 0.02 Å3 |
| Cell temperature | 190 ± 1 K |
| Ambient diffraction temperature | 190 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 221 |
| Hermann-Mauguin space group symbol | P m -3 m |
| Hall space group symbol | -P 4 2 3 |
| Residual factor for significantly intense reflections | 0.006 |
| Weighted residual factors for significantly intense reflections | 0.0086 |
| Weighted residual factors for all reflections included in the refinement | 0.0089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277836 (current) | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
2102560.cif |
| 277835 | 2022-09-14 | cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
2102560.cif |
| 202022 | 2017-10-15 | cif/ Marking COD entries that are known to be related to MPOD entries using the _cod_related_entry data loop. |
2102560.cif |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2102560.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2102560.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2102560.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2102560.cif |
| 340 | 2008-04-05 | Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition. |
2102560.cif |
| 326 | 2008-04-03 | Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site. |
2102560.cif |
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Users of the data should acknowledge the original authors of the
structural data.