Bertrandite
Downs J W, Ross F K
American Mineralogist 72 (1987) 979-983
Neutron-diffraction study of bertrandite
Note: O2y has been corrected
8.7135 15.268 4.5683 90 90 90 Cmc2_1
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   .3251  .1141 .6540  .0103  .0030  .0090 -.0008 -.0004  .0000
Be1  .1726 .05249 .1562  .0104  .0054  .0107  .0008 -.0007 -.0006
Be2  .3264 .22023 .1509  .0126  .0059  .0111  .0003 -.0005  .0013
H1       0  .2006 .4203  .0210  .0289  .0351      0      0 -.0176
H2      .5  .3675 .4530  .0295  .0250  .0407      0      0 -.0153
O1   .2899  .1243     0  .0136  .0042  .0096 -.0015  .0018 -.0005
O2   .2095  .0430 .5065  .0126  .0053  .0101 -.0020 -.0012  .0003
O3   .2938  .2091 .5012  .0153  .0047  .0099  .0015  -.006  .0005
O4      .5  .0847 .5916  .0077  .0092  .0172      0      0 -.0027
O5      .5  .2553 .0877  .0105  .0101  .0158      0      0  .0028
O6       0  .0876 .0978  .0122  .0104  .0137      0      0  .0011