Information card for entry 2104739

Structure parameters

• Common name: Pyrrhotite 4C
• Mineral name: Pyrrhotite 4C
• Formula: Fe7 S8
• Calculated formula: Fe7 S8
• SMILES: [Fe+3].[Fe+3].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2]
• Title of publication: Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
• Authors of publication: Elliot, Alexander Dean
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: 271 - 279
• a: 11.91383 ± 0.00028 Å
• b: 6.87079 ± 0.00015 Å
• c: 12.91089 ± 0.00034 Å
• α: 90°
• β: 118.034 ± 0.0018°
• γ: 90°
• Cell volume: 932.85 ± 0.04 ų
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor R(I) for significantly intense reflections: 0.0149
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No