Ilvaite Carrozzini B European Journal of Mineralogy 6 (1994) 465-479 Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Oridda X-3.4 Note: O(2,1) y-coordinate changed in order to match reported bond lengths _database_code_amcsd 0006543 13.009 8.838 5.843 90 90.16 90 P2_1/a atom x y z occ Biso Ca .81294 .36997 .75199 .96 .60 Mn .81294 .36997 .75199 .02 .60 Mg .81294 .36997 .75199 .01 .60 FeM(1,1) .89018 .04974 .00664 .92 .50 MnM(1,1) .89018 .04974 .00664 .08 .50 FeM(1,2) .89012 .05101 .49354 .95 .50 MnM(1,2) .89012 .05101 .49354 .04 .50 AlM(1,2) .89012 .05101 .49354 .01 .50 FeM2 .93993 .73913 .24896 .58 .53 MnM2 .93993 .73913 .24896 .42 .53 Si1 .95888 .36741 .24976 .37 Si2 .67969 .22656 .25131 .36 O1 .00952 .02681 .74280 .80 O(2,1) .93673 .27190 .01562 .54 O(2,2) .93572 .27185 .48352 .58 O3 .77704 .10783 .25363 .59 O(4,1) .67167 .32807 .01898 .55 O(4,2) .67129 .33032 .48157 .56 O5 .58444 .10175 .25188 .54 O6 .60307 .02253 .75122 .84 O7 .79805 .11013 .74626 .58 H .75081 .07153 .75901 5.49