Katoite
Lager G A, Downs R T, Origlieri M J, Garoutte R
American Mineralogist 87 (2002) 642-647
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
Sample: P = 2.15 GPa
_database_code_amcsd 0002792
12.4286 12.4286 12.4286 90 90 90 Ia-3d
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca    .125     0   .25      .0021 .00125 .00125      0      0  .0001
Al       0     0     0     .00133 .00133 .00133  .0001  .0001  .0001
SiT   .375     0   .25   0
OH   .0289 .0530 .6410      .0023  .0022  .0013 -.0004 -.0001 -.0002