Information card for entry 4000160

Structure parameters

• Chemical name: 2H Copper Scandium Oxide
• Formula: Cu O2 Sc
• Calculated formula: Cu Mg0.08 O2 Sc0.92
• 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: 3.2168 ± 0.0004 Å
• b: 3.2168 ± 0.0004 Å
• c: 11.406 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 102.21 ± 0.01 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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
• Goodness-of-fit parameter for all reflections: 1.77
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.5402 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No