Information card for entry 4000807

Structure parameters

• Formula: Cu O4 W
• Calculated formula: Cu O4 W
• Title of publication: Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn‒Teller Distortion
• Authors of publication: Ruiz-Fuertes, J.; Friedrich, A.; Pellicer-Porres, J.; Errandonea, D.; Segura, A.; Morgenroth, W.; Haussühl, E.; Tu, C.-Y.; Polian, A.
• Journal of publication: Chemistry of Materials
• Year of publication: 2011
• Journal volume: 23
• Journal issue: 18
• Pages of publication: 4220
• a: 4.542 ± 0.006 Å
• b: 5.461 ± 0.016 Å
• c: 4.98 ± 0.009 Å
• α: 90.5 ± 0.2°
• β: 86.8 ± 0.13°
• γ: 89.84 ± 0.19°
• Cell volume: 123.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.45 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No