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 = 500 degrees C
_database_code_amcsd 0006879
5.2360 9.0862 20.169 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  .095    .25 .475 .052
Na      0  .095    .25 .025 .052
Al   .234 .0797 -.0007  .76 .018
Mg   .234 .0797 -.0007  .10 .018
Fe   .234 .0797 -.0007  .14 .018
SiT1 .456  .920  .1330  .81 .034
AlT1 .456  .920  .1330  .19 .034
SiT2 .451  .264  .1342  .81 .008
AlT2 .451  .264  .1342  .19 .008
O1   .458 .9439  .0521      .028
O2   .395  .257  .0544      .016
O3   .460 .5617  .0510  .98 .026
F3   .460 .5617  .0510  .02 .026
O4   .443 .0969  .1675      .030
O5   .225 .8283  .1581      .032
O6   .242 .3547  .1713      .025
H1   .342  .645   .059  .98        .141   .048   .145   .070   .062   .017