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