Gypsum
Boeyens J C A, Ichharam V V H
Zeitschrift fur Kristallographie 217 (2002) 9-10
Redetermination of the crystal structure of calcium sulphate dihydrate, CaSO4*2H2O
Locality: synthetic
_database_code_amcsd 0011093
6.284 15.200 6.523 90 127.41 90 C2/c
atom     x      y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca      .5 .07956   .75       .0105  .0124  .0104      0  .0057      0
S        0 .07724   .75       .0084  .0108  .0090      0  .0046      0
O1   .0372 .13198 .5872       .0163  .0187  .0145  .0006  .0093  .0052
O2   .2424 .02211 .9092       .0115  .0179  .0172  .0052  .0075  .0068
OW   .6202 .18197 .0784       .0304  .0182  .0157  .0013  .0099 -.0028
H1    .749   .162  .251 .031
H2    .584   .235  .073 .057