Information card for entry 1563702

Structure parameters

• Formula: Cu O5 Ti Zr
• Calculated formula: Cu O5 Ti Zr
• Title of publication: Synthesis and crystal structure of CuZrTiO5—A new crystal structure type
• Authors of publication: Troitzsch, Ulrike; Christy, Andrew G.; Willis, Anthony C.; Ellis, David J.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 3
• Pages of publication: 668 - 675
• a: 3.5871 ± 0.0003 Å
• b: 6.6968 ± 0.0004 Å
• c: 14.6679 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 352.35 ± 0.04 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No