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 = 4.34 GPa
_database_code_amcsd 0002077
9.6349 9.9143 3.7168 90 90 90 Bbmm
atom     x     y z  occ Biso
Mg1  .8044   .25 0  .93  .44
Ti1  .8044   .25 0  .07  .44
Ti2  .1336 .4334 0 .965  .35
Mg2  .1336 .4334 0 .035  .35
O1   .2202   .25 0       .47
O2   .0465 .8856 0       .58
O3   .3142 .9379 0       .54