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 = 400 degrees C
_database_code_amcsd 0006877
5.2321 9.0784 20.125 90 95.715 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  .096    .25 .475 .048
Na      0  .096    .25 .025 .048
Al   .233 .0795 -.0008  .76 .017
Mg   .233 .0795 -.0008  .10 .017
Fe   .233 .0795 -.0008  .14 .017
SiT1 .456  .921  .1332  .81 .032
AlT1 .456  .921  .1332  .19 .032
SiT2 .451  .263  .1346  .81 .008
AlT2 .451  .263  .1346  .19 .008
O1   .458 .9438  .0524      .023
O2   .395 .2571  .0543      .015
O3   .459 .5607  .0507  .98 .026
F3   .459 .5607  .0507  .02 .026
O4   .441 .0964  .1678      .026
O5   .227 .8269  .1582      .031
O6   .243 .3566  .1718      .023
H1   .339  .644   .057  .98        .124   .052   .115   .068   .058   .016