Information card for entry 4317028

Structure parameters

• Common name: Uranium iron sulfide
• Formula: Fe S3 U
• Calculated formula: Fe S3 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: 3.7911 ± 0.0001 Å
• b: 11.5746 ± 0.0003 Å
• c: 8.6888 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 381.269 ± 0.017 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 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: 0.0152
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.599
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No