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: T = 100 C
_database_code_amcsd 0006873
5.2196 9.0550 20.010 90 95.746 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 .024
Na      0  .097    .25 .025 .024
Al   .236 .0814 -.0017  .76 .011
Mg   .236 .0814 -.0017  .10 .011
Fe   .236 .0814 -.0017  .14 .011
SiT1 .459  .921  .1347  .81 .027
AlT1 .459  .921  .1347  .19 .027
SiT2 .453  .261  .1362  .81 .007
AlT2 .453  .261  .1362  .19 .007
O1   .455 .9425  .0522      .013
O2   .394 .2559  .0542      .008
O3   .459 .5610  .0509  .98 .014
F3   .459 .5610  .0509  .02 .014
O4   .436 .0957  .1687      .015
O5   .237 .8209  .1594      .028
O6   .246 .3601  .1704      .012
H1   .342  .647   .056  .98        .081   .047   .086   .047   .044    .003