Zirkelite
	Sinclair W, Eggleton R A
	American Mineralogist 67 (1982) 615-620
	Structure refinement of zirkelite from Kaiserstuhl, West Germany
	_database_code_amcsd 0000869
	12.431 7.224 11.483 90 100.33 90 C2/c
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 .3752 .1245 .4971 .870 0.020 0.019 0.029 0.003 0.005 0.004
	Th1 .3752 .1245 .4971 .130 0.020 0.019 0.029 0.003 0.005 0.004
	Zr2 .1210 .2161 -.0239 .850 0.017 0.012 0.023 0.002 0.004 0.001
	Ti2 .1210 .2161 -.0239 .150 0.017 0.012 0.023 0.002 0.004 0.001
	Fe3 .25 .1252 .7450 .125 0.019 0.017 0.021 -.001 0.005 0
	Ti3 .25 .1252 .7450 .375 0.019 0.017 0.021 -.001 0.005 0
	Nb3 .25 .1252 .7450 .350 0.019 0.017 0.021 -.001 0.005 0
	Zr3 .25 .1252 .7450 .150 0.019 0.017 0.021 -.001 0.005 0
	Fe4 .4788 .0892 .2509 .330 0.056 0.062 0.009 -.003 -.002 -.004
	Ti4 .4788 .0892 .2509 .170 0.056 0.062 0.009 -.003 -.002 -.004
	Ti5 0 .1279 .25 .720 0.020 0.020 0.020 0 0.002 0
	Nb5 0 .1279 .25 .280 0.020 0.020 0.020 0 0.002 0
	O1 .3087 .1243 .2864 0.062 0.013 0.042 -.004 0.007 -.007
	O2 .4693 .1373 .0891 0.028 0.024 0.051 0.002 0.004 0.002
	O3 .2070 .0857 .5687 0.030 0.028 0.048 -.007 -.001 -.007
	O4 .3957 .1665 .7151 0.035 0.041 0.036 -.010 0.005 -.000
	O5 .7121 .1700 .5821 0.034 0.027 0.031 0.000 -.004 0.007
	O6 -.0024 .1157 .4189 0.031 0.028 0.035 0.001 0.010 0.005
	O7 .1086 .0653 .7917 0.026 0.043 0.041 -.014 -.001 0.003
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