Information card for entry 2239374

Structure parameters

• Chemical name: Tetracalcium magnesium tetrairon(III) hexakis-phosphate tetrahydroxide dodecahydrate
• Formula: Al1.07 Ca3.94 Fe2.93 H28 Mg1.01 O40 P6 Sr0.06
• Calculated formula: Al1.07 Ca3.94 Fe2.93 H20 Mg1.01 O40 P6 Sr0.06
• Title of publication: Calcioferrite with composition (Ca~3.94~Sr~0.06~)Mg~1.01~(Fe~2.93~Al~1.07~)(PO~4~)~6~(OH)~4~·12H~2~O
• Authors of publication: Lafuente, Barbara; Downs, Robert T.; Yang, Hexiong; Jenkins, Robert A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: i16 - i17
• a: 10.1936 ± 0.0008 Å
• b: 24.1959 ± 0.0018 Å
• c: 6.3218 ± 0.0004 Å
• α: 90°
• β: 91.161 ± 0.004°
• γ: 90°
• Cell volume: 1558.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes