Information card for entry 2017554

Structure parameters

• Chemical name: Iron aluminium tris(dihydrogenphosphate)
• Formula: Al0.19 Fe0.81 H6 O12 P3
• Calculated formula: Al0.193 Fe0.807 H6 O12 P3
• Title of publication: The solid solution (Fe~0.81~Al~0.19~)(H~2~PO~4~)~3~ with a strong hydrogen bond
• Authors of publication: Belfguira, Nadia; Walha, Siwar; Ben Salah, Abdelhamid; Fransolet, André Mathieu; Kabadou, Ahlem
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: i33 - i36
• a: 11.7 ± 0.001 Å
• b: 15.59 ± 0.001 Å
• c: 5.03 ± 0.001 Å
• α: 90°
• β: 98 ± 0.01°
• γ: 90°
• Cell volume: 908.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes