Phengite
Mookherjee M, Redfern S A T, Zhang M
European Journal of Mineralogy 13 (2001) 545-555
Thermal response of structure and hydroxyl ion of phengite-2M_1:
an in situ neutron diffraction and FTIR study
Sample: T2 = 300 degrees C
_database_code_amcsd 0006876
5.2279 9.0745 20.096 90 95.727 90 C2/c
atom    x     y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K       0  .098    .25 .475 .044
Na      0  .098    .25 .025 .044
Al   .236 .0807 -.0012  .76 .018
Mg   .236 .0807 -.0012  .10 .018
Fe   .236 .0807 -.0012  .14 .018
SiT1 .457  .924  .1328  .81 .034
AlT1 .457  .924  .1328  .19 .034
SiT2 .452  .263  .1355  .81 .008
AlT2 .452  .263  .1355  .19 .008
O1   .458 .9430  .0521      .019
O2   .394 .2555  .0548      .016
O3   .459 .5607  .0507  .98 .026
F3   .459 .5607  .0507  .02 .026
O4   .442 .0958  .1686      .025
O5   .231 .8243  .1579      .033
O6   .243 .3574  .1711      .020
H1   .343  .643   .058  .98        .109   .052   .100   .060   .011   .002