Information card for entry 7242110

Structure parameters

• Common name: chalcopyrite
• Mineral name: ?Chalkopyrit?
• Formula: Cu0.5 Fe0.5 S
• Calculated formula: Cu0.5 Fe0.5 S
• Title of publication: Synthesis and stability of single-phase chalcopyrite ‒ a potential reference material for key investigations in chemistry and metallurgical engineering
• Authors of publication: Frenzel, Ninett; Mehne, Marcel; Bette, Sebastian; Kureti, Sven; Frisch, Gero
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 3153 - 3161
• a: 5.32612 ± 0.00003 Å
• b: 5.32612 ± 0.00003 Å
• c: 5.32612 ± 0.00003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 151.089 ± 0.0015 ų
• Cell temperature: 818 K
• Ambient diffraction temperature: 818 K
• Number of distinct elements: 3
• Space group number: 216
• Hermann-Mauguin space group symbol: F -4 3 m
• Hall space group symbol: F -4 2 3
• RFsqd: 0.0456
• Goodness-of-fit parameter for all reflections: 1.23
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No