Information card for entry 7001236

Structure parameters

• Formula: Fe1.5 H2 O5 P
• Calculated formula: Fe1.32 H1.32 O5 P
• Title of publication: Synthesis and crystal structures of iron hydrogen phosphates
• Authors of publication: Redrup, Kate V.; Weller, Mark T.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3786 - 3792
• a: 5.2061 ± 0.0003 Å
• b: 5.2061 ± 0.0003 Å
• c: 12.9609 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 351.29 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No