Information card for entry 2018708

Structure parameters

• Common name: Iron Phosphate
• Chemical name: Heptairon tetraphosphate bis(hydrogen phosphate)
• Formula: Fe6.23 H1.55 O24 P6
• Calculated formula: Fe6.228 O24 P6
• Title of publication: Fe~6.67~(PO~4~)~5.35~(HPO~4~)~0.65~ and Fe~6.23~(PO~4~)~4.45~(HPO~4~)~1.55~: two new mixed-valence iron phosphates
• Authors of publication: Dal Bo, Fabrice; Hatert, Frédéric
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: i83 - i85
• a: 6.3445 ± 0.0002 Å
• b: 7.9353 ± 0.0003 Å
• c: 9.2829 ± 0.0003 Å
• α: 105.303 ± 0.003°
• β: 108.176 ± 0.003°
• γ: 101.7 ± 0.003°
• Cell volume: 407.03 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes