Information card for entry 2241434

Structure parameters

• Chemical name: Potassium hexaphosphitopentaferrate(II,III) hemihydrate
• Formula: Fe5 H7 K0.75 O18.5 P6
• Calculated formula: Fe5 H6 K0.75 O18.5 P6
• Title of publication: Crystal structure of K~0.75~[Fe^II^~3.75~Fe^III^~1.25~(HPO~3~)~6~]·0.5H~2~O, an open-framework iron phosphite with mixed-valent Fe^II^/Fe^III^ ions
• Authors of publication: Larrea, Edurne S.; Mesa, José Luis; Legarra, Estibaliz; Aguayo, Andrés Tomás; Arriortua, Maria Isabel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 63 - 65
• a: 10.1567 ± 0.0005 Å
• b: 10.1567 ± 0.0005 Å
• c: 9.2774 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 828.82 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes