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
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