Information card for entry 4001658

Structure parameters

• Common name: calcium copper sulfide
• Formula: Ca Cu2 S2
• Calculated formula: Ca Cu2 S2
• Title of publication: Ammonothermal Crystal Growth of Sulfide Materials
• Authors of publication: Purdy, Andrew P.
• Journal of publication: Chemistry of Materials
• Year of publication: 1998
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 692
• a: 3.94 ± 0.0004 Å
• b: 3.94 ± 0.0004 Å
• c: 6.523 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 87.69 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections: 0.139
• Weighted residual factors for significantly intense reflections: 0.1283
• Goodness-of-fit parameter for all reflections: 1.128
• Goodness-of-fit parameter for significantly intense reflections: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No