Lawsonite
Kolesov B A, Lager G A, Schultz A J
European Journal of Mineralogy 20 (2008) 63-72
Behaviour of H2O and OH in lawsonite: a single-crystal neutron diffraction and
Raman spectroscopic investigation
Sample: T = 295 K
_database_code_amcsd 0007253
5.850 8.790 13.122 90 90 90 Cmcm
atom      x       y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca        0   .3333    .25 .0093  .0095  .0091  .0093      0      0      0
Al      .25     .25      0 .0024  .0014  .0014  .0045  .0001 -.0010  .0003
Si        0   .9807  .1328 .0028  .0031  .0014  .0041      0      0 -.0008
O1        0   .0496    .25 .0063  .0104  .0048  .0037      0      0      0
O2    .2727  .37853 .11698 .0058  .0049  .0057  .0067 -.0026  .0009 -.0023
O3        0   .1371 .06485 .0040  .0049  .0020  .0052      0      0  .0018
O4        0   .6382  .0477 .0064  .0055  .0037   .010      0      0  .0028
O5        0   .6101    .25  .018   .033  .0126  .0091      0      0      0
Hw        0   .6623  .1886  .062   .050   .068   .068      0      0   .053
Hh        0   .5383  .0610  .063   .033   .027   .128      0      0   .034