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 = 7.78 GPa
_database_code_amcsd 0002798
12.1267 12.1267 12.1267 90 90 90 I-43d
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .1370     0   .25      .0016  .0014  .0015      0      0  .0004
Al   .0032 .0032 .0032     .00127 .00127 .00127 -.0001 -.0001 -.0001
SiT1  .375     0   .25   0
SiT2     0   .25  .875   0
OH1  .0356 .0528 .6388      .0021  .0016  .0014 -.0007  .0002  .0002
OH2  .1476 .9732 .0538      .0017  .0027  .0019  .0001 -.0008 -.0002