Information card for entry 4107933

Structure parameters

• Formula: Ba2 F2 Fe2 O Se2
• Calculated formula: Ba2 F2 Fe2 O Se2
• Title of publication: Structure and Magnetic Properties of Oxychalcogenides A~2~F~2~Fe~2~OQ~2 (A = Sr, Ba; Q = S, Se) with Fe2O Square Planar Layers Representing an Antiferromagnetic Checkerboard Spin Lattice
• Authors of publication: Houria Kabbour; Etienne Janod; Benoît Corraze; Michel Danot; Changhoon Lee; Myung-Hwan Whangbo; Laurent Cario
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 8261 - 8270
• a: 4.1946 ± 0.0006 Å
• b: 4.1946 ± 0.0006 Å
• c: 19.522 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 343.48 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No