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: T1 = 300 degrees C
_database_code_amcsd 0006875
5.2276 9.0701 20.083 90 95.726 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  .097    .25 .475 .038
Na      0  .097    .25 .025 .038
Al   .235 .0808 -.0010  .76 .016
Mg   .235 .0808 -.0010  .10 .016
Fe   .235 .0808 -.0010  .14 .016
SiT1 .457  .922  .1327  .81 .029
AlT1 .457  .922  .1327  .19 .029
SiT2 .453  .262  .1362  .81 .005
AlT2 .453  .262  .1362  .19 .005
O1   .458 .9434  .0532      .022
O2   .395 .2566  .0545      .013
O3   .460 .5609  .0511  .98 .022
F3   .460 .5609  .0511  .02 .022
O4   .439 .0960  .1677      .021
O5   .230 .8252  .1588      .032
O6   .246 .3578  .1714      .020
H1   .338  .646   .057  .98        .104   .043   .071   .057   .027   .001