Ilvaite
Bonazzi P, Bindi L
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 550 deg C
_database_code_amcsd 0002321
13.013 8.802 5.849 90 90 90 Pnam
atom      x      y      z occ   Uiso
Ca   .81328 .37080    .75     .00891
Fe1  .88981 .05150 .00594 .93 .00758
Mg1  .88981 .05150 .00594 .03 .00758
Al1  .88981 .05150 .00594 .04 .00758
Fe2  .93991 .73990    .25 .95 .00791
Mn2  .93991 .73990    .25 .05 .00791
Si1  .96007 .36831    .25     .00600
Si2  .67993 .22798    .25     .00632
H     .7438  .0535    .75       .196
O1   .01067 .02862    .75     .01195
O2   .93683 .27212 .01684     .00854
O3   .77793 .10975    .25     .00858
O4   .67116 .33030 .01831     .00839
O5   .58548 .10167    .25     .00779
O6   .60102 .02553    .75     .01138
O7   .79899 .10990    .75     .00954