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: T = 293 K
_database_code_amcsd 0002620
12.489 12.489 11.909 90 90 90 *I4_1/acd
.5 .25 .125
atom      x      y      z  occ Biso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mn1       0      0      0 .967      .00571 .00572 .00478  .00100 -.00063 -.00075
Al1       0      0      0 .033      .00571 .00572 .00478  .00100 -.00063 -.00075
Ca1  .36180      0    .25           .00605 .00740 .00775       0       0 -.00111
Ca2       0    .25   .125           .00918 .00918  .0072 -.00300       0       0
Si1  .11599      0    .25            .0045  .0057  .0046       0       0 -.00035
O1   .29485 .71842 .09651            .0094  .0070  .0056  -.0009   .0003  -.0011
O2   .15990 .55480 .05381            .0071  .0085  .0074  -.0018   .0008   .0012
O3   .44271 .36023 .02146 .947       .0093  .0071  .0083  -.0014   .0022  -.0007
Si2      .5    .25   .125 .047   .6
H3     .433   .354   .080  .95  4.6
O3a    .456   .346   .036 .044  .79