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