Ilvaite
Bonazzi P, Bindi L
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 450 deg C
_database_code_amcsd 0002319
13.014 8.807 5.846 90 90.10 90 P2_1/a
atom      x      y      z occ   Uiso
Ca   .81287 .37029 .75072     .00958
Fe11 .89007 .05073 .00734 .97 .00807
Mg11 .89007 .05073 .00734 .03 .00807
Fe12 .89000 .05119 .49276 .96 .00799
Al12 .89000 .05119 .49276 .04 .00799
Fe2  .94063 .74003 .24975 .95 .00857
Mn2  .94063 .74003 .24975 .05 .00857
Si1  .95958 .36863 .24986     .00688
Si2  .67950 .22731 .25047     .00689
H     .7394  .0789  .7417       .047
O1   .00985 .02910 .74651     .01293
O21  .93651 .27249 .01682     .00920
O22  .93628 .27240 .48262     .00913
O3   .77748 .10944 .25130     .00967
O41  .67102 .32928 .01863     .00942
O42  .67084 .33013 .48177     .00935
O5   .58485 .10108 .25056     .00907
O6   .60163 .02554 .75061     .01173
O7   .79821 .10931 .74935     .00948