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