Information card for entry 2104734

Structure parameters

• Common name: Pyrrhotite 5C
• Chemical name: nona iron deca sulphide
• Mineral name: Pyrrhotite 5C
• Formula: Fe9 S10
• Calculated formula: Fe9 S10
• SMILES: [Fe+3].[Fe+3].[Fe+2].[Fe+2].[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].[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: 6.89339 ± 0.0002 Å
• b: 28.67216 ± 0.00034 Å
• c: 6.88524 ± 0.00008 Å
• α: 90°
• β: 119.967 ± 0.0027°
• γ: 90°
• Cell volume: 1178.93 ± 0.05 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor R(I) for significantly intense reflections: 0.01974
• Goodness-of-fit parameter for all reflections: 2.89
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.825218 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No