Information card for entry 2002957

Structure parameters

• Formula: Co1.26 Fe2.74 La0.743 Sb12
• Calculated formula: Co1.256 Fe2.744 La0.743 Sb12
• Title of publication: Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
• Authors of publication: Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 341 - 347
• a: 9.0809 ± 0.0004 Å
• b: 9.0809 ± 0.0004 Å
• c: 9.0809 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 748.84 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.031
• Goodness-of-fit parameter for all reflections: 1.23
• Goodness-of-fit parameter for significantly intense reflections: 1.518
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.8387 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No