Cascandite
	Mellini M, Merlino S
	American Mineralogist 67 (1982) 604-609
	The crystal structure of cascandite, CaScSi3O8(OH)
	_database_code_amcsd 0000868
	9.791 10.420 7.076 98.91 102.63 84.17 C-1
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .0027 .6629 .9128 0.0037 0.0024 0.0036 0.0003 0.0013 0.0010
	Sc -.0019 .6421 .4062 0.0010 0.0013 0.0010 -.0004 0.0000 0.0004
	Si1 .2163 .0402 .0886 0.0019 0.0020 0.0027 -.0001 0.0004 0.0008
	Si2 .2102 .0666 .5229 0.0018 0.0018 0.0026 -.0002 0.0003 0.0010
	Si3 .2055 .8366 .7399 0.0020 0.0018 0.0028 -.0006 0.0002 0.0006
	O1 .1160 .4490 .8729 0.0019 0.0026 0.0042 -.0004 0.0001 0.0010
	O2 .1176 .4462 .4203 0.0018 0.0025 0.0040 -.0003 0.0002 0.0008
	O3 .1279 .6930 .2416 0.0024 0.0038 0.0047 -.0006 0.0003 0.0013
	O4 .1295 .1568 -.0262 0.0046 0.0025 0.0052 0.0010 0.0016 0.0019
	O5 .1479 .2006 .6291 0.0040 0.0022 0.0049 0.0002 0.0015 0.0003
	O6 .1113 .7139 .6736 0.0026 0.0024 0.0043 -.0009 -.0002 0.0008
	O7 .1571 .0538 .2871 0.0023 0.0038 0.0036 -.0002 0.0006 0.0010
	O8 .1507 .9458 .5940 0.0033 0.0027 0.0066 -.0009 0.0005 0.0022
	OH9 .1815 .8981 .9601 0.0036 0.0029 0.0037 -.0011 0.0009 0.0001
	H .13 .18 .86
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