Phengite
Pavese A, Ferraris G, Pischedda V, Ibberson R
European Journal of Mineralogy 11 (1999) 309-320
Tetrahedral order in phengite 2M_1 upon heating, from powder
neutron diffraction, and thermodynamic consequences
Sample: T = 293 K
Note: O5 z-coordinate altered.
_database_code_amcsd 0006768
5.21397 9.0521 19.9968 90 95.736 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 .0932   1/4  .94  .022
Na       0 .0932   1/4  .03  .022
AlM2 .2471 .0827 .0007 .835 .0252
MgM2 .2471 .0827 .0007  .02 .0252
FeM2 .2471 .0827 .0007  .17 .0252
SiT1 .4649 .9299 .1351  .79  .018
AlT1 .4649 .9299 .1351  .21  .018
SiT2 .4543 .2581 .1366  .83  .015
AlT2 .4543 .2581 .1366  .17  .015
O1   .4310 .0931 .1680      .0257
O2   .2415 .8180 .1599      .0358
O3   .2406 .3623 .1692       .031
O4   .4578 .9426 .0530       .026
O5   .3917 .2519 .0540      .0169
O6   .4604 .5645 .0511  .94  .026
F6   .4604 .5645 .0511  .06  .026
H     .360  .652 .0569  .94         .079   .056   .083   .012  -.008   .000