Rutile
	Swope R J, Smyth J R, Larson A C
	American Mineralogist 80 (1995) 448-453
	H in rutile-type compounds: I. Single-crystal neutron and X-ray diffraction
	study of H in rutile
	Sample: X-ray; synthetic, T = 300 K
	_database_code_amcsd 0001737
	4.5922 4.5922 2.9574 90 90 90 P4_2/mnm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ti 0 0 0 .992 .00682 .00682 .00500 -.00012 0 0
	O .30496 .30496 0 .0054 .0054 .0047 -.00163 0 0
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