Ilvaite
Bonazzi P, Bindi L
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 700 deg C
_database_code_amcsd 0002327
13.006 8.804 5.836 90 90 90 Pnam
atom      x      y       z occ   Uiso
Ca   .81636 .37376     .75     .01285
Fe1  .88856 .05505 -.00357 .93 .01016
Mg1  .88856 .05505 -.00357 .03 .01016
Al1  .88856 .05505 -.00357 .04 .01016
Fe2  .93421 .73921     .25 .95 .01120
Mn2  .93421 .73921     .25 .05 .01120
Si1  .96437 .36704     .25     .00966
Si2  .68385 .23199     .25     .00801
O1   .01573 .02467     .75     .01451
O2   .94065 .27065  .01616     .01267
O3   .78262 .11255     .25     .01139
O4   .67356 .33367  .01641     .01305
O5   .58968 .10488     .25     .01315
O6   .59543 .02378     .75     .01897
O7   .80613 .11229     .75     .01357