Perovskite Beran A, Libowitzky E The Canadian Mineralogist 34 (1996) 803-809 A single-crystal infrared spectroscopic and X-ray-diffraction study of untwinned San Benito perovskite containing OH groups _database_code_amcsd 0005501 5.380 5.440 7.639 90 90 90 Pbnm atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ti 0 .5 0 .0059 .0052 .0045 .0000 .0000 .00025 Ca .00648 .0356 .25 .0082 .0083 .0079 .0016 0 0 O1 .5711 -.0161 .25 .0082 .0086 .0045 .0002 0 0 O2 .2897 .2888 .0373 .0065 .0060 .0095 .0020 -.0008 -.0010