Henritermierite
Armbruster T, Kohler T, Libowitzky E, Friedrich A, Miletich R,
Kunz M, Medenbach O, Gutzmer J
American Mineralogist 86 (2001) 147-158
Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal
Mn3+ hydrogarnet, henritermierite
Sample: P = 8.6 GPa
_database_code_amcsd 0002621
12.1577 12.1577 11.6919 90 90 90 *I4_1/acd
.5 .25 .125
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3) B(2,3)
Mn1       0      0      0           .00133 .00149 .00164  .00018 -.00015 .00009
Ca1  .36427      0    .25           .00149 .00172 .00190       0       0 .00009
Ca2       0    .25   .125           .00172 .00172 .00173 -.00090       0      0
Si1  .11789      0    .25 .947  .74
O1   .29942 .71776 .09575       .91
O2   .15909 .55218 .05617       .86
O3   .44546 .35596 .02735       .76
Si2      .5    .25   .125 .047   .8
H3     .433   .354    .08  .95  5.0