Information card for entry 5000115

Structure parameters

• Chemical name: Iron persulfide
• Mineral name: Pyrite
• Formula: Fe S2
• Calculated formula: Fe S2
• SMILES: [Fe+2].[S-][S-]
• Title of publication: Redetermined crystal structure of Fe S2 (pyrite)
• Authors of publication: Brostigen, G; Kjekshus, A
• Journal of publication: Acta Chemica Scandinavica (1-27,1973-42,1988)
• Year of publication: 1969
• Journal volume: 23
• Pages of publication: 2186 - 2188
• a: 5.4179 ± 0.0011 Å
• b: 5.4179 ± 0.0011 Å
• c: 5.4179 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 159 ų
• Number of distinct elements: 2
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.075
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No