Ilvaite
Bonazzi P, Bindi L
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 600 deg C
_database_code_amcsd 0002322
13.015 8.802 5.847 90 90 90 Pnam
atom      x      y      z occ   Uiso
Ca   .81393 .37154    .75     .00945
Fe1  .88955 .05225 .00369 .93 .00790
Mg1  .88955 .05225 .00369 .03 .00790
Al1  .88955 .05225 .00369 .04 .00790
Fe2  .93864 .73969    .25 .95 .00819
Mn2  .93864 .73969    .25 .05 .00819
Si1  .96097 .36795    .25     .00618
Si2  .68078 .22868    .25     .00629
H     .7611  .0717    .75       .088
O1   .01197 .02755    .75     .01270
O2   .93765 .27167 .01674     .00887
O3   .77888 .11065    .25     .00821
O4   .67178 .33119 .01805     .00882
O5   .58608 .10232    .25     .00848
O6   .60011 .02480    .75     .01257
O7   .80060 .11071    .75     .01066