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 = 6.00 GPa
_database_code_amcsd 0002796
12.2145 12.2145 12.2145 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   .1342     0   .25      .0022  .0012  .0019      0      0 -.0000
Al   .0024 .0024 .0024     .00163 .00163 .00163 -.0000 -.0000 -.0000
SiT1  .375     0   .25   0
SiT2     0   .25  .875   0
OH1  .0339 .0510 .6381      .0012  .0029  .0018 -.0005  .0005  .0001
OH2  .1465 .9717 .0536      .0018  .0044  .0016  .0003 -.0006  .0001