Information card for entry 4126648

Structure parameters

• Formula: Bi8 Cl0.64 Cu3.46 O8 Se5.36
• Calculated formula: Bi8 Cl0.64 Cu3.456 O8 Se5.36
• Title of publication: Bi4O4Cu1.7Se2.7Cl0.3: Intergrowth of BiOCuSe and Bi2O2Se Stabilized by the Addition of a Third Anion.
• Authors of publication: Gibson, Quinn D.; Dyer, Matthew S.; Whitehead, George F. S.; Alaria, Jonathan; Pitcher, Michael J.; Edwards, Holly J.; Claridge, John B.; Zanella, Marco; Dawson, Karl; Manning, Troy D.; Dhanak, Vin R.; Rosseinsky, Matthew J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 3.8979 ± 0.0001 Å
• b: 3.8979 ± 0.0001 Å
• c: 29.8291 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 453.21 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No