Ilvaite
Bonazzi P, Bindi L
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 615 deg C
_database_code_amcsd 0002323
13.012 8.801 5.850 90 90 90 Pnam
atom      x      y      z occ   Uiso
Ca   .81437 .37215    .75     .00880
Fe1  .88933 .05276 .00182 .93 .00750
Mg1  .88933 .05276 .00182 .03 .00750
Al1  .88933 .05276 .00182 .04 .00750
Fe2  .93779 .73957    .25 .95 .00779
Mn2  .93779 .73957    .25 .05 .00779
Si1  .96151 .36769    .25     .00573
Si2  .68148 .22939    .25     .00576
H     .7629  .0549    .75       .115
O1   .01277 .02720    .75     .01215
O2   .93804 .27138 .01656     .00855
O3   .77963 .11118    .25     .00752
O4   .67208 .33193 .01836     .00826
O5   .58682 .10303    .25     .00818
O6   .59924 .02467    .75     .01283
O7   .80151 .11156    .75     .01056