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-3.3 _database_code_amcsd 0006542 13.006 8.842 5.844 90 90.19 90 P2_1/a atom x y z occ Biso Ca .81240 .37002 .75248 .96 .65 Mn .81240 .37002 .75248 .02 .65 Mg .81240 .37002 .75248 .01 .65 FeM(1,1) .89018 .04958 .00673 .91 .54 MnM(1,1) .89018 .04958 .00673 .08 .54 FeM(1,2) .89011 .05121 .49363 .96 .54 MnM(1,2) .89011 .05121 .49363 .04 .54 AlM(1,2) .89011 .05121 .49363 .01 .54 FeM2 .93992 .73912 .24874 .58 .58 MnM2 .93992 .73912 .24874 .42 .58 Si1 .95890 .36733 .24970 .41 Si2 .67967 .22661 .25158 .40 O1 .00947 .02678 .74135 .81 O(2,1) .93675 .27156 .01537 .61 O(2,2) .93547 .27193 .48362 .61 O3 .77715 .10809 .25441 .60 O(4,1) .67183 .32790 .01872 .58 O(4,2) .67103 .33069 .48192 .60 O5 .58430 .10168 .25225 .57 O6 .60319 .02255 .75146 .87 O7 .79794 .11001 .74613 .60 H .74617 .06107 .75287 4.49