Crystallography Open Database





Information card for 1000022

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Coordinates

1000022.cif

Structure parameters

Chemical name Calcium titanate
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 Å3
Number of distinct elements 3
Hermann-Mauguin symmetry space group P b n m
Residual factor for all reflections 0.027
Has coordinates Yes
Has disorder No
Has Fobs No

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