Information card for entry 4338416

Structure parameters

• Chemical name: dibismuth iron diselenite oxo trichloride
• Formula: Bi2 Cl3 Fe O7 Se2
• Calculated formula: Bi2 Cl3 Fe O7 Se2
• Title of publication: Crystal Structure, Physical Properties, and Electronic and Magnetic Structure of the Spin S = (5)/2 Zigzag Chain Compound Bi2Fe(SeO3)2OCl3.
• Authors of publication: Berdonosov, Peter S.; Kuznetsova, Elena S.; Dolgikh, Valery A.; Sobolev, Alexei V.; Presniakov, Igor A.; Olenev, Andrei V.; Rahaman, Badiur; Saha-Dasgupta, Tanusri; Zakharov, Konstantin V.; Zvereva, Elena A.; Volkova, Olga S.; Vasiliev, Alexander N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5830 - 5838
• a: 8.5703 ± 0.0018 Å
• b: 7.1374 ± 0.0015 Å
• c: 8.6043 ± 0.0019 Å
• α: 90°
• β: 107.09 ± 0.003°
• γ: 90°
• Cell volume: 503.08 ± 0.19 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No