Information card for entry 2019443

Structure parameters

• Chemical name: Hexapotassium octairon(II,III) dodecaphosphonate
• Formula: Fe8.27 H12 K6 O36 P12
• Calculated formula: Fe8.271 H12 K6 O36 P12
• Title of publication: K~6~[Fe~8.27~(HPO~3~)~12~]: a new mixed-valence iron phosphite
• Authors of publication: Hamchaoui, Farida; Alonzo, Véronique; Rebbah, Houria; Le Fur, Eric
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: 351 - 354
• a: 5.3822 ± 0.0001 Å
• b: 5.3822 ± 0.0001 Å
• c: 34.6521 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 869.32 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes