Information card for entry 4000104

Structure parameters

• Formula: B Fe1.05 H0 N0.41 O10.59 P2
• Calculated formula: B Fe1.051 N0.402 O10.598 P2
• Title of publication: Open-Framework Borophosphates: (NH4)0.4Fe1.05(H2O)2[BP2O8]*0.6H2O and NH4Fe[BP2O8(OH)]
• Authors of publication: Huang, Ya-Xi; Schäfer, Gerd; Carrillo-Carbrera, Wilder; Cardoso, Raul; Schnelle, Walter; Zhao, Jing-Tai; Kniep, Rüdiger
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• a: 9.483 ± 0.004 Å
• b: 9.483 ± 0.004 Å
• c: 15.697 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1222.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No