Ilvaite
Bonazzi P, Bindi L
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 500 deg C
_database_code_amcsd 0002320
13.005 8.800 5.847 90 90 90 Pnam
atom      x      y      z occ   Uiso
Ca   .81303 .37050    .75     .00956
Fe1  .88996 .05113 .00695 .93 .00802
Mg1  .88996 .05113 .00695 .03 .00802
Al1  .88996 .05113 .00695 .04 .00802
Fe2  .94045 .73995    .25 .95 .00853
Mn2  .94045 .73995    .25 .05 .00853
Si1  .95973 .36848    .25     .00683
Si2  .67954 .22764    .25     .00685
H     .7420  .0727    .75       .062
O1   .01009 .02908    .75     .01288
O2   .93650 .27246 .01687     .00907
O3   .77766 .10957    .25     .00910
O4   .67089 .33005 .01854     .00920
O5   .58510 .10122    .25     .00884
O6   .60152 .02558    .75     .01173
O7   .79861 .10947    .75     .00965