Ca(H2O)3(C2O4)
	Deganello S, Kampf A R, Moore P B
	American Mineralogist 66 (1981) 859-865
	The crystal structure of calcium oxalate trihydrate Ca(H2O)3(C2O4)
	_database_code_amcsd 0000844
	7.145 8.600 6.099 112.30 108.87 89.92 P-1
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .2810 .3079 .2161 .0110 .0058 .0127 .0002 .0050 .0026
	C1 -.4015 .0501 .1082 .0124 .0100 .0297 -.0011 .0064 .0025
	C2 .4285 .4439 -.1331 .0105 .0082 .0184 -.0008 .0037 .0038
	O1 -.4113 .1936 .2612 .0138 .0086 .0334 .0001 .0049 -.0044
	O2 .2479 .0225 -.1109 .0119 .0106 .0342 .0010 .0060 -.0010
	O3 .2846 .3558 -.1421 .0205 .0198 .0202 -.0109 .0038 .0061
	O4 .4643 .4484 -.3198 .0153 .0101 .0157 -.0026 .0058 .0042
	Wat1 .1370 .1275 .3608 .0141 .0138 .0187 -.0046 .0008 .0047
	Wat2 .1240 -.4439 .3688 .0120 .0116 .0362 .0012 -.0008 -.0014
	Wat3 .0815 -.2452 .0550 .0206 .0129 .0385 .0004 .0022 .0091
	H1 .014 .434 .646
	H2 .803 .345 .487
	H3 .865 .326 .853
	H4 .989 .101 .313
	H5 .211 .165 .540
	H6 .823 .136 .808
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