Information card for entry 2219402

Structure parameters

• Common name: safflorite
• Chemical name: Cobalt-iron-nickel diarsenide
• Formula: As1.99 Co0.61 Fe0.17 Ni0.22 S0.01
• Calculated formula: As2 Co
• Title of publication: Safflorite, (Co,Ni,Fe)As~2~, isomorphous with marcasite
• Authors of publication: Yang, Hexiong; Downs, Robert T.; Eichler, Carla
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: i62
• a: 5.0669 ± 0.0006 Å
• b: 5.8739 ± 0.0007 Å
• c: 3.1346 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 93.29 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0288
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes