Ilvaite
Bonazzi P, Bindi L
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 400 deg C
_database_code_amcsd 0002318
13.015 8.803 5.842 90 90.16 90 P2_1/a
atom      x      y      z occ   Uiso
Ca   .81287 .37024 .75082     .01025
Fe11 .89008 .05063 .00746 .97 .00869
Mg11 .89008 .05063 .00746 .03 .00869
Fe12 .89002 .05112 .49256 .96 .00844
Al12 .89002 .05112 .49256 .04 .00844
Fe2  .94072 .74001 .24967 .95 .00910
Mn2  .94072 .74001 .24967 .05 .00910
Si1  .95950 .36867 .24978     .00756
Si2  .67940 .22725 .25048     .00770
H     .7368  .0734  .7501       .034
O1   .00972 .02937 .74624     .01339
O21  .93673 .27236 .01684     .00988
O22  .93618 .27256 .48296     .01017
O3   .77741 .10954 .25153     .01054
O41  .67091 .32943 .01879     .01017
O42  .67071 .33023 .48127     .01023
O5   .58492 .10079 .25082     .00920
O6   .60185 .02546 .75058     .01232
O7   .79802 .10917 .74867     .01041