Hydrogarnet
Lager G A, Armbruster T, Faber J
American Mineralogist 72 (1987) 756-765
Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
Sample: T = 300 K, X-ray 1, with H
_database_code_amcsd 0001107
12.565 12.565 12.565 90 90 90 Ia-3d
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca     .125      0    .25 .00169 .00115 .00114       0       0  .00023
Al        0      0      0 .00103 .00103 .00103 -.00016 -.00016 -.00016
O    .02797 .05260 .63958 .00166 .00193 .00139 -.00025 -.00042 -.00037
H     .1723  .0931  .7989 .00522 .00421 .00717  .00355  .00413  .00490