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 = 873 K
_database_code_amcsd 0006769
5.23899 9.1048 20.2440 90 95.684 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  .088   1/4  .94  .049
Na       0  .088   1/4  .03  .049
AlM2 .2495 .0811 .0020 .835 .0333
MgM2 .2495 .0811 .0020  .02 .0333
FeM2 .2495 .0811 .0020  .17 .0333
SiT1 .4643 .9277 .1336  .62  .025
AlT1 .4643 .9277 .1336  .38  .025
SiT2 .4501 .2615 .1350       .015
O1   .4516 .0952 .1676       .046
O2   .2317 .8228 .1586       .054
O3   .2326 .3534 .1688       .039
O4   .4644 .9421 .0537       .043
O5   .3943 .2530 .0546       .029
O6   .4573 .5642 .0485  .94  .047
F6   .4573 .5642 .0485  .06  .047
H     .366 .6464 .0650  .94          .19   .054    .23   .011    .03   .046