Information card for entry 4313054

Structure parameters

• Formula: As1.28 Cu2 I2 P1.72
• Calculated formula: As1.27975 Cu1.999 I2 P1.7175
• Title of publication: Toward an Arsenic Analogue of Hittorf's Phosphorus: Mixed Pnicogen Chains in Cu2P1.8As1.2I2
• Authors of publication: Buddhimathie Jayasekera; Jennifer A. Aitken; Mary Jane Heeg; Stephanie L. Brock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 658 - 660
• a: 15.477 ± 0.003 Å
• b: 13.2 ± 0.003 Å
• c: 15.421 ± 0.003 Å
• α: 90°
• β: 115.406 ± 0.004°
• γ: 90°
• Cell volume: 2845.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No