Information card for entry 4000156

Structure parameters

• Formula: Cu O2 Sc
• Calculated formula: Cu0.5 O Sc0.5
• Title of publication: Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~
• Authors of publication: Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.
• Journal of publication: Chemistry of Materials
• Year of publication: 2002
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2602 - 2606
• a: 3.2146 ± 0.001 Å
• b: 3.2146 ± 0.001 Å
• c: 11.3857 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 101.89 ± 0.05 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 3
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No