Information card for entry 2015649

Structure parameters

• Chemical name: potassium iron niobium oxide phosphate
• Formula: Fe0.5 K Nb0.5 O5 P
• Calculated formula: Fe0.5 K Nb0.5 O5 P
• Title of publication: Centrosymmetric aliovalent KTP isomorphs K<i>M</i>^III^~0.5~Nb~0.5~OPO~4~ (<i>M</i> = Cr and Fe)
• Authors of publication: Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Oleg V. Shishkin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: i91 - i93
• a: 12.9675 ± 0.0013 Å
• b: 10.705 ± 0.003 Å
• c: 6.4638 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 897.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.326
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes