Information card for entry 2104742

Structure parameters

• Mineral name: Chalcopyrite
• Formula: Cu Fe S2
• Calculated formula: Cu Fe S2
• 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: 5.2888 ± 0.0004 Å
• b: 5.2888 ± 0.0004 Å
• c: 10.4221 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 291.52 ± 0.05 ų
• Number of distinct elements: 3
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor R(I) for significantly intense reflections: 0.01587
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No