K3Ca2(SO4)3F
	Fayos J, Watkin D J, Perez-Mendez M
	American Mineralogist 72 (1987) 209-212
	Crystal structure of the apatite-like compound K3Ca2(SO4)3F
	_database_code_amcsd 0001068
	13.415 10.493 9.127 90 90 90 Pn2_1a
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K1 .5735 .5415 .6939 .023 .042 .027 .011 -.004 -.023
	K2 .7128 .2500 .3481 .011 .059 .051 -.006 .004 .019
	K3 .7755 .2472 .8055 .014 .063 .060 .001 .006 .031
	Ca1 .5763 -.0475 .6897 .015 .017 .070 .000 -.004 -.014
	Ca2 .9873 .25 .5128 .011 .045 .036 .005 -.002 -.026
	F1 .903 .272 .302 .021
	S2 .027 .237 .901 .5 .008
	O12 .994 .282 .755 .5 .019
	O22 .114 .153 .883 .5 .099
	O32 .947 .168 .979 .5 .049
	O42 .053 .353 .988 .5 .026
	S21 .025 .268 .924 .5 .027
	O121 .991 .210 .784 .5 .048
	O221 .126 .317 .899 .5 .023
	O321 .958 .371 .971 .5 .020
	O421 .028 .166 .036 .5 .042
	S1 .841 .535 .546 .025
	O11 .861 .398 .591 .035
	O21 .913 .613 .632 .059
	O31 .744 .579 .589 .027
	O41 .857 .571 .407 .074
	S11 .853 -.032 .579 .016
	O111 .854 .102 .540 .037
	O211 .932 -.081 .680 .058
	O311 .755 -.061 .652 .044
	O411 .877 -.103 .436 .058
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