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 = 7.09 GPa
_database_code_amcsd 0002797
12.1623 12.1623 12.1623 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   .1354     0   .25      .0022  .0015  .0016      0      0  .0004
Al   .0039 .0039 .0039     .00118 .00118 .00118 -.0003 -.0003 -.0003
SiT1  .375     0   .25   0
SiT2     0   .25  .875   0
OH1  .0340 .0533 .6386      .0023  .0013  .0013 -.0001 -.0008  .0004
OH2  .1468 .9719 .0518      .0014  .0029  .0030 -.0009 -.0004 -.0003