Information card for entry 4317027

Structure parameters

• Common name: Uranium iron selenide
• Formula: Fe Se3 U
• Calculated formula: Fe Se3 U
• Title of publication: Structural, Electronic, and Magnetic Properties of UFeS3 and UFeSe3
• Authors of publication: Geng Bang Jin; Emilie Ringe; Gary J. Long; Fernande Grandjean; Moulay T. Sougrati; Eun Sang Choi; Daniel M. Wells; Mahalingam Balasubramanian; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10455 - 10467
• a: 3.9457 ± 0.0008 Å
• b: 12.214 ± 0.003 Å
• c: 9.1209 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 439.56 ± 0.17 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.706
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No