Pseudobrookite Yang H, Hazen R M American Mineralogist 84 (1999) 130-137 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P1400, x(Ti) in M1 = .485, P = 0.00 GPa _database_code_amcsd 0002080 9.7602 9.9796 3.7479 90 90 90 Bbmm atom x y z occ Biso Mg1 .8085 .25 0 .515 .50 Ti1 .8085 .25 0 .485 .50 Ti2 .1357 .4369 0 .7575 .55 Mg2 .1357 .4369 0 .2425 .55 O1 .2341 .25 0 1.16 O2 .0467 .8841 0 .83 O3 .3110 .9304 0 .67