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 = 100 K
_database_code_amcsd 0002619
12.468 12.468 11.894 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      .00299 .00320 .00265 .00041 -.00043 -.00043
Al1       0      0      0 .033      .00299 .00320 .00265 .00041 -.00043 -.00043
Ca1  .36177      0    .25            .0034  .0041  .0042      0       0 -.00074
Ca2       0    .25   .125           .00454 .00454  .0043 -.0011       0       0
Si1  .11595      0    .25            .0027  .0037  .0030      0       0  -.0004
O1   .29522 .71857 .09654            .0057  .0045  .0034 -.0005   .0002  -.0008
O2   .15985 .55463 .05400            .0047  .0050  .0049 -.0011   .0007   .0008
O3    .4427  .3601  .0219 .954       .0058  .0054  .0052 -.0006   .0013  -.0003
Si2      .5    .25   .125 .044   .4
H3     .432   .350   .083  .95  2.1
O3a    .454   .347   .030 .044  .79