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Information card for entry 2019400
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| Coordinates | 2019400.cif |
|---|---|
| Structure factors | 2019400.hkl |
| Original IUCr paper | HTML |
| Chemical name | Potassium [nickel(II)/iron(II)] iron(III) bis(orthophosphate) |
|---|---|
| Formula | Fe1.07 K Ni0.93 O8 P2 |
| Calculated formula | Fe1.069 K Ni0.931 O8 P2 |
| Title of publication | KNi~0.93~Fe^II^~0.07~Fe^III^(PO~4~)~2~: a new type of structure for a compound of composition <i>M</i>^I^<i>M</i>^II^<i>M</i>^III^(PO~4~)~2~ |
| Authors of publication | Strutynska, Nataliya Yu.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | 160 - 164 |
| a | 5.102 ± 0.001 Å |
| b | 14.464 ± 0.003 Å |
| c | 9.226 ± 0.0018 Å |
| α | 90° |
| β | 104.74 ± 0.03° |
| γ | 90° |
| Cell volume | 658.4 ± 0.2 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 | 0.0307 |
| Residual factor for significantly intense reflections | 0.0228 |
| Weighted residual factors for all reflections included in the refinement | 0.0518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019400.cif 2019400.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019400.cif 2019400.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019400.cif 2019400.hkl |
| 104762 | 2014-03-11 | cif/ hkl/ Adding structures of 2019400 via cif-deposit CGI script. |
2019400.cif 2019400.hkl |
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