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 P600, x(Ti) in M1 = .070, P = 2.16 GPa
_database_code_amcsd 0002075
9.6739 9.9651 3.7265 90 90 90 Bbmm
atom     x     y z  occ Biso
Mg1  .8046   .25 0  .93  .51
Ti1  .8046   .25 0  .07  .51
Ti2  .1335 .4333 0 .965  .39
Mg2  .1335 .4333 0 .035  .39
O1   .2197   .25 0       .56
O2   .0466 .8861 0       .72
O3   .3142 .9377 0       .55