Information card for entry 7234287

Structure parameters

• Formula: C6 H8 Mn N2 O6
• Calculated formula: C6 H8 Mn N2 O6
• Title of publication: A prominent dielectric material with extremely high-temperature and reversible phase transition in the high thermally stable perovskite-like architecture
• Authors of publication: Fang-Fang Wang; Cheng Chen; Yi Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 6350 - 6358
• a: 8.8169 ± 0.001 Å
• b: 8.8169 ± 0.001 Å
• c: 6.4562 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 501.89 ± 0.12 ų
• Cell temperature: 453 ± 2 K
• Ambient diffraction temperature: 453 ± 2 K
• Number of distinct elements: 5
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.1174
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No