Information card for entry 4323977

Structure parameters

• Formula: Fe0.57 S2.43 Zr6
• Calculated formula: Fe0.57 S2.43 Zr6
• Title of publication: New Zr6MTe2 (M = Mn, Fe, Co, Ni, Ru, Pt), Zr6Fe0.6Se2.4, and Zr6Fe0.57S2.43 Intermetallics: Structural Links between Binary (Zr,Hf)3M Alloys and Porous Metal-Rich Tellurides
• Authors of publication: Chwanchin Wang; Timothy Hughbanks
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 6987 - 6994
• a: 12.519 ± 0.004 Å
• b: 15.436 ± 0.002 Å
• c: 3.4966 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 675.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections: 0.1236
• Weighted residual factors for significantly intense reflections: 0.1039
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No