Information card for entry 7043105

Structure parameters

• Formula: Nb0.4 O3 Sr0.8 Ti0.48 Zr0.12
• Calculated formula: Nb0.4 O3 Sr0.8 Ti0.48 Zr0.12
• Title of publication: Tailoring phase transition temperatures in perovskites via A-site vacancy generation
• Authors of publication: Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 5.595 ± 0.0003 Å
• b: 5.595 ± 0.0003 Å
• c: 7.9158 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 247.8 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.1228
• Weighted residual factors for significantly intense reflections: 0.1227
• Goodness-of-fit parameter for all reflections: 5.27
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.622 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No