Gypsum
Schofield P F, Knight K S, Stretton I C
American Mineralogist 81 (1996) 847-851
Thermal expansion of gypsum investigated by neutron powder diffraction
T = 320 K
_database_code_amcsd 0001809
5.6769 15.2074 6.5277 90 118.494 90 *I2/a
.25 .25 .25
atom      x      y      z  Biso
Ca       .5 .07864    .25  .570
S         0 .07872    .75  .504
O1   .96164 .13263 .55120 1.177
O2   .75714 .02154 .66527  .970
Ow   .37837 .18255 .46544 1.749
D1   .25043 .16150 .50086 3.520
D2   .40225 .24347 .49003 3.074