Information card for entry 2019400

Structure parameters

• 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 ų
• 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