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