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 = 0 GPa
_database_code_amcsd 0002791
12.5731 12.5731 12.5731 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 .00151 .00151      0      0  .0000
Al       0     0     0     .00138 .00138 .00138 -.0000 -.0000 -.0000
SiT   .375     0   .25   0
OH   .0285 .0522 .6402      .0026  .0020  .0016 -.0001  .0001 -.0002