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 = 4.21 GPa
_database_code_amcsd 0002793
12.3094 12.3094 12.3094 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      .0027 .00148 .00148      0      0  .0002
Al       0     0     0     .00144 .00144 .00144  .0000  .0000  .0000
SiT   .375     0   .25   0
OH   .0299 .0529 .6414      .0025  .0019  .0016 -.0003 -.0002 -.0003