Colemanite
	Burns P C, Hawthorne F C
	The Canadian Mineralogist 31 (1993) 297-304
	Hydrogen bonding in colemanite: An X-ray and structure-energy study
	_database_code_amcsd 0005295
	8.712 11.247 6.091 90 110.12 90 P2_1/a
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca .6348 .21106 .73664 .94 .0102 .0094 .0118 .0073 .0007 .0002 .0003
	B1 .3343 .2126 .3136 .0075 .0065 .0087 .0069 -.0001 .0019 .0003
	B2 .0397 .1709 .1622 .0066 .0059 .0069 .0065 .0002 .0014 -.0004
	B3 .2207 .0523 .4962 .0069 .0069 .0080 .0058 -.0005 .0023 -.0001
	O1 -.0182 .24675 .3156 .0091 .0063 .0114 .0088 .0018 .0017 -.0031
	O2 .1886 .2314 .1390 .0081 .0049 .0112 .0074 -.0009 .0011 .0026
	Oh3 -.0798 .1639 -.0724 .0102 .0083 .0115 .0072 .0018 -.0020 -.0020
	O4 .3422 .1480 .5098 .0107 .0088 .0142 .0069 -.0044 -.0003 .0036
	O5 .0872 .05558 .271 .0076 .0074 .0063 .0072 -.0004 .0000 -.0001
	Oh6 .2945 -.066 .5144 .0130 .0172 .0100 .0103 .0057 .0026 .0012
	Oh7 .1668 .077 .6972 .0108 .0120 .0128 .0090 -.0018 .0054 -.0012
	OW8 .6137 .0187 .9008 .0178 .0190 .0166 .0173 -.0003 .0056 .0028
	H1 -.075 .085 -.130 .0200
	H2 .334 -.101 .669 .0200
	H3 .08 .025 .699 .0200
	H4 .701 -.025 .010 .0200
	H5 .516 -.013 .919 .0200
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