Information card for entry 1000022

Structure parameters

• Chemical name: Calcium titanate
• Mineral name: Perovskite
• Formula: Ca O3 Ti
• Calculated formula: Ca O3 Ti
• Title of publication: A single-crystal infrared spectroscopic and X-ray diffraction study of untwinned San Benito perovskite containing O H groups
• Authors of publication: Beran, A; Libowitzky, E; Armbruster, T
• Journal of publication: Canadian Mineralogist
• Year of publication: 1996
• Journal volume: 34
• Pages of publication: 803 - 809
• a: 5.38 ± 0.001 Å
• b: 5.44 ± 0.001 Å
• c: 7.639 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 223.6 ų
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P b n m
• Hall space group symbol: -P 2c 2ab
• Residual factor for all reflections: 0.027
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No