Ilvaite
Bonazzi P, Bindi L
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 675 deg C
_database_code_amcsd 0002326
13.013 8.804 5.841 90 90 90 Pnam
atom      x      y       z occ   Uiso
Ca   .81593 .37354     .75     .01083
Fe1  .88868 .05457 -.00250 .93 .00878
Mg1  .88868 .05457 -.00250 .03 .00878
Al1  .88868 .05457 -.00250 .04 .00878
Fe2  .93508 .73909     .25 .95 .00950
Mn2  .93508 .73909     .25 .05 .00950
Si1  .96364 .36719     .25     .00757
Si2  .68322 .23152     .25     .00695
O1   .01507 .02534     .75     .01265
O2   .93994 .27073  .01641     .01065
O3   .78199 .11239     .25     .00939
O4   .67321 .33364  .01744     .01038
O5   .58908 .10482     .25     .01108
O6   .59638 .02413     .75     .01602
O7   .80464 .11229     .75     .01247