Information card for entry 2015504

Structure parameters

• Common name: lanthanum iron sulfide
• Chemical name: lanthanum(III) iron(II) sulfide
• Formula: Fe12 La52 S90
• Calculated formula: Fe12 La52.0506 S90
• Title of publication: Redetermination of the lanthanum iron sulfide La~52~Fe~12~S~90~
• Authors of publication: Mills, Allison M.; Bräunling, Daniel; Ruck, Michael
• Journal of publication: Acta Crystallographica, Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: i56 - i58
• a: 14.0426 ± 0.0005 Å
• b: 14.0426 ± 0.0005 Å
• c: 21.776 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3718.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No