Information card for entry 4002170

Structure parameters

• Formula: Cu3.2 O30 Ta11
• Calculated formula: Cu3.192 O30 Ta11
• Title of publication: Cu-Deficiency in thep-Type Semiconductor Cu5‒xTa11O30: Impact on Its Crystalline Structure, Surfaces, and Photoelectrochemical Properties
• Authors of publication: Sullivan, Ian; Sahoo, Prangya P.; Fuoco, Lindsay; Hewitt, Andrew S.; Stuart, Sean; Dougherty, Daniel; Maggard, Paul A.
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 6711
• a: 6.2359 ± 0.0002 Å
• b: 6.2359 ± 0.0002 Å
• c: 32.2139 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1084.86 ± 0.05 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0256
• Weighted residual factors for all reflections included in the refinement: 0.0256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.88
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No