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 = 500 degrees C
_database_code_amcsd 0006880
5.2356 9.0893 20.177 90 95.707 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  .093    .25 .475 .056
Na      0  .093    .25 .025 .056
Al   .236 .0804 -.0009  .76 .021
Mg   .236 .0804 -.0009  .10 .021
Fe   .236 .0804 -.0009  .14 .021
SiT1 .455  .922  .1317  .81 .036
AlT1 .455  .922  .1317  .19 .036
SiT2 .450  .264  .1340  .81 .012
AlT2 .450  .264  .1340  .19 .012
O1   .459 .9447  .0533      .029
O2   .394 .2560  .0545      .018
O3   .459 .5609  .0505  .98 .029
F3   .459 .5609  .0505  .02 .029
O4   .446 .0969  .1686      .031
O5   .226 .8268  .1577      .034
O6   .241 .3548  .1710      .028
H1   .344  .641   .059  .98        .132   .044   .178   .059   .038   .004