Ilvaite
Bonazzi P, Bindi L
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 660 deg C
_database_code_amcsd 0002325
13.008 8.802 5.842 90 90 90 Pnam
atom      x      y       z occ   Uiso
Ca   .81562 .37326     .75     .00957
Fe1  .88880 .05419 -.00169 .93 .00773
Mg1  .88880 .05419 -.00169 .03 .00773
Al1  .88880 .05419 -.00169 .04 .00773
Fe2  .93565 .73917     .25 .95 .00830
Mn2  .93565 .73917     .25 .05 .00830
Si1  .96320 .36724     .25     .00639
Si2  .68289 .23103     .25     .00589
O1   .01464 .02588     .75     .01118
O2   .93945 .27077  .01623     .00937
O3   .78146 .11217     .25     .00818
O4   .67292 .33335  .01754     .00901
O5   .58862 .10440     .25     .00950
O6   .59678 .02416     .75     .01465
O7   .80392 .11225     .75     .01128