Information card for entry 4105420

Structure parameters

• Formula: In0.37 Mn0.63 O3 Y
• Calculated formula: In0.37 Mn0.63 O3 Y
• Title of publication: Mn3+ in Trigonal Bipyramidal Coordination: A New Blue Chromophore
• Authors of publication: Andrew E. Smith; Hiroshi Mizoguchi; Kris Delaney; Nicola A. Spaldin; Arthur W. Sleight; M. A. Subramanian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 17084 - 17086
• a: 6.1709 ± 0.0006 Å
• b: 6.1709 ± 0.0006 Å
• c: 11.77 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 388.15 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 185
• Hermann-Mauguin space group symbol: P 63 c m
• Hall space group symbol: P 6c -2
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No