Information card for entry 4001940

Structure parameters

• Formula: Ca Mn O6 Ti2
• Calculated formula: Ca Mn O6 Ti2
• Title of publication: High-Pressure Synthesis ofA-Site Ordered Double Perovskite CaMnTi2O6and Ferroelectricity Driven by Coupling ofA-Site Ordering and the Second-Order Jahn‒Teller Effect
• Authors of publication: Aimi, Akihisa; Mori, Daisuke; Hiraki, Ko-ichi; Takahashi, Toshihiro; Shan, Yue Jin; Shirako, Yuichi; Zhou, Jianshi; Inaguma, Yoshiyuki
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 2601
• a: 7.5376 ± 0.0007 Å
• b: 7.5376 ± 0.0007 Å
• c: 7.6002 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 431.81 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 105
• Hermann-Mauguin space group symbol: P 42 m c
• Hall space group symbol: P 4c -2
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.279
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No