Information card for entry 2220483

Structure parameters

• Chemical name: Ammonium iron(III) phosphate(V) fluoride
• Formula: F Fe H3.5 K0.125 N1.875 O4 P
• Calculated formula: F Fe H2 K0.1245 N0.875 O4 P
• Title of publication: Ammonium iron(III) phosphate(V) fluoride, (NH~4~)~0.5~[(NH~4~)~0.375~K~0.125~]FePO~4~F, with ammonium partially substituted by potassium
• Authors of publication: Wang, Lei; Zhou, Yan; Huang, Ya-Xi; Mi, Jin-Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: i4 - i5
• a: 12.9402 ± 0.0004 Å
• b: 6.4382 ± 0.0002 Å
• c: 10.6428 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 886.67 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes