Information card for entry 4000486

Structure parameters

• Formula: As F Fe H4 N O4
• Calculated formula: As F Fe N O4
• Title of publication: Thermal transformation of (NH4)[Fe(AsO4F] Into The New Textural Porous Orthorhombic Fe(AsO4) Phase. Crystal Structures, Thermal Behavior, Spectroscopic and Magnetic Properties. CM040161S
• Authors of publication: Bazán, B.; Mesa, J.L.; Pizarro, J.L.; Rodríguez-Fernández, J.; Sánchez Marcos, J.; Roig, A.; Molins, E.; Arriortua, M.I.; Rojo, T.
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 13.27 ± 0.002 Å
• b: 6.629 ± 0.001 Å
• c: 10.866 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 955.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0257
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No