Ilvaite
Bonazzi P, Bindi L
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 625 deg C
_database_code_amcsd 0002324
13.007 8.805 5.844 90 90 90 Pnam
atom      x      y      z occ   Uiso
Ca   .81461 .37226    .75     .00996
Fe1  .88925 .05298 .00143 .93 .00840
Mg1  .88925 .05298 .00143 .03 .00840
Al1  .88925 .05298 .00143 .04 .00840
Fe2  .93739 .73945    .25 .95 .00859
Mn2  .93739 .73945    .25 .05 .00859
Si1  .96180 .36767    .25     .00661
Si2  .68167 .22961    .25     .00658
O1   .01293 .02673    .75     .01315
O2   .93843 .27132 .01651     .00963
O3   .77989 .11128    .25     .00862
O4   .67217 .33186 .01774     .00924
O5   .58696 .10293    .25     .00962
O6   .59906 .02465    .75     .01432
O7   .80173 .11110    .75     .01189