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 = 5.09 GPa
_database_code_amcsd 0002794
12.2595 12.2595 12.2595 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      .0034 .00163 .00163      0      0 -.0001
Al       0     0     0     .00172 .00172 .00172  .0001  .0001  .0001
SiT   .375     0   .25   0
OH   .0306 .0528 .6421      .0028  .0023  .0020 -.0003 -.0005 -.0003