Vesuvianite Groat L A, Hawthorne F C, Ercit T S The Canadian Mineralogist 30 (1992) 1065-1075 The role of fluorine in vesuvianite: A crystal-structure study Sample: V12 _database_code_amcsd 0005282 15.522 15.522 11.802 90 90 90 *P4/nnc .25 .25 .25 atom x y z occ Uiso SiZ1 .75 .25 0 .0060 SiZ2 -.18089 .04110 .87099 .0062 SiZ3 -.08314 -.15084 .36482 .0072 CaX1 .75 .25 .25 .0076 CaX2 -.18919 .04379 .37990 .0079 CaX3 -.10132 -.18123 .88698 .0169 CaX4 .75 .75 .14934 .0099 AlY1A .75 .75 .0358 .81 .0109 MgY1A .75 .75 .0358 .08 .0109 FeY1A .75 .75 .0358 .09 .0109 TiY1A .75 .75 .0358 .02 .0109 AlY2 0 0 0 .81 .0072 MgY2 0 0 0 .08 .0072 FeY2 0 0 0 .09 .0072 TiY2 0 0 0 .02 .0072 AlY3 -.11203 .12089 .12640 .81 .0067 MgY3 -.11203 .12089 .12640 .08 .0067 FeY3 -.11203 .12089 .12640 .09 .0067 TiY3 -.11203 .12089 .12640 .02 .0067 O1 -.21915 .17269 .08546 .0082 O2 -.11732 .15964 .27828 .0089 O3 -.04911 .22149 .07643 .0083 O4 -.06227 .10658 .47022 .0084 O5 -.17019 .01500 .17833 .0099 O6 .88108 -.27075 .06013 .0132 O7 .05579 .17308 .32192 .0115 O8 -.06098 -.09101 .06618 .0088 O9 -.14454 -.14454 .25 .0102 O10A .75 .75 .8661 .0151 OH -.00480 .06155 .13637 .0095