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 = 400 degrees C
_database_code_amcsd 0006878
5.2324 9.0787 20.129 90 95.718 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 .042
Na      0  .098    .25 .025 .042
Al   .236 .0822 -.0012  .76 .016
Mg   .236 .0822 -.0012  .10 .016
Fe   .236 .0822 -.0012  .14 .016
SiT1 .455  .922  .1321  .81 .032
AlT1 .455  .922  .1321  .19 .032
SiT2 .452  .264  .1353  .81 .009
AlT2 .452  .264  .1353  .19 .009
O1   .460 .9435  .0520      .021
O2   .395 .2574  .0542      .014
O3   .457 .5608  .0501  .98 .018
F3   .457 .5608  .0501  .02 .018
O4   .439 .0968  .1676      .026
O5   .226 .8264  .1583      .031
O6   .243 .3567  .1718      .021
H1   .338  .644   .059  .98        .149   .058   .136   .077   .083   .008