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Information card for entry 7020836
Preview
| Coordinates | 7020836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | PotassiumDihydrogenPhosphate |
|---|---|
| Formula | H2 K O4 P |
| Calculated formula | H2 K O4 P |
| Title of publication | Structure of the high-pressure phase IV of KH2PO4 (KDP). |
| Authors of publication | Cai, Weizhao; Katrusiak, Andrzej |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 4 |
| Pages of publication | 863 - 866 |
| a | 6.148 ± 0.005 Å |
| b | 4.484 ± 0.011 Å |
| c | 13.909 ± 0.011 Å |
| α | 90° |
| β | 91.53 ± 0.07° |
| γ | 90° |
| Cell volume | 383.3 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Cell measurement pressure | 1110000 kPa |
| Number of distinct elements | 4 |
| 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 | 0.1589 |
| Residual factor for significantly intense reflections | 0.1368 |
| Weighted residual factors for significantly intense reflections | 0.2738 |
| Weighted residual factors for all reflections included in the refinement | 0.2888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.388 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7020836.cif |
| 179913 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08. |
7020836.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020836.cif |
| 73681 | 2013-02-21 | cif/ Adding structures of 7020834, 7020835, 7020836, 7020837, 7020838, 7020839, 7020840, 7020841, 7020842 via cif-deposit CGI script. |
7020836.cif |
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Users of the data should acknowledge the original authors of the
structural data.