Information card for entry 4000724

Structure parameters

• Common name: PX phase of lead titanate
• Formula: O3 Pb Ti
• Calculated formula: O3 Pb Ti
• Title of publication: Structure Determination and Compositional Modification of Body-Centered Tetragonal PX-Phase Lead Titanate
• Authors of publication: Wang, Jin; Schenk, Kurt; Carvalho, Alexandra; Eerd, Ben Wylie-van; Trodahl, Joe; Sandu, Cosmin S.; Bonin, Michel; Gregora, Ivan; He, Zhanbing; Yamada, Tomoaki; Funakubo, Hiroshi; Briddon, Patrick R.; Setter, Nava
• Journal of publication: Chemistry of Materials
• Year of publication: 2011
• Journal volume: 23
• Journal issue: 10
• Pages of publication: 2529
• a: 12.3853 ± 0.0001 Å
• b: 12.3853 ± 0.0001 Å
• c: 3.82 ± 0.00004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 585.971 ± 0.009 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0277
• Weighted residual factors for all reflections included in the refinement: 0.0277
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.498358 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No