Lawsonite
Comodi P, Zanazzi P F
American Mineralogist 81 (1996) 833-841
Effects of temperature and pressure on the structure of lawsonite
P = 0.001 kbar, T = 23 C
_database_code_amcsd 0001800
8.797 5.852 13.126 90 90 90 Ccmm
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .3331     0   .25       .0124  .0098  .0084      0      0      0
Al     .25   .25     0       .0060  .0059  .0058  .0002 -.0003 -.0004
Si   .9805     0 .1330       .0053  .0062  .0051      0  .0000      0
O1   .0496     0   .25       .0086  .0146  .0051      0      0      0
O2   .3788 .2727 .1170       .0095  .0085  .0086  .0014 -.0019 -.0021
O3   .1375     0 .0651       .0072  .0082  .0066      0  .0011      0
O4   .6394     0 .0478       .0079  .0090  .0120      0  .0025      0
O5   .6092     0   .25       .0145   .039  .0112      0      0      0
HW    .668     0  .301  .09
H     .556     0  .058  .11