CaSO4
Crichton W A, Parise J B, Antao S M, Grzechnik A
American Mineralogist 90 (2005) 22-27
Evidence for monazite-, barite-, and AgMnO4 (distorted barite)-type structures of CaSO4
at high pressure and temperature
Sample: P = 21 GPa, T = 1450 K
_database_code_amcsd 0003662
6.3365 7.5347 4.9532 90 90 90 Pbnm
atom     x     y     z  Uiso
Ca   .1696 .1812   .25 .0298
S    .8166 .5606   .25 .0452
O1   .5675 .8898   .25 .0334
O2   .5341 .2141   .25 .0334
O3   .3193 .4287 .9823 .0334