Paragonite
Comodi P, Zanazzi P F
Physics and Chemistry of Minerals 27 (2000) 377-385
Structural thermal behavior of paragonite and its dehydroxylate:
a high-temperature single-crystal study
Sample 2: T = 450 C
_database_code_amcsd 0008409
5.173 8.985 19.553 90 93.58 90 C2/c
atom     x     y       z   occ  Uiso
Na       0 .0957     .25   .91  .086
K        0 .0957     .25   .07  .086
Ca       0 .0957     .25   .01  .086
Ba       0 .0957     .25   .01  .086
AlM2 .2502 .0836 -.00002  .995 .0221
TiM2 .2502 .0836 -.00002 .0025 .0221
FeM2 .2502 .0836 -.00002  .005 .0221
MnM2 .2502 .0836 -.00002 .0005 .0221
MgM2 .2502 .0836 -.00002   .01 .0221
AlT1 .9457 .4287  .13942   .27 .0239
SiT1 .9457 .4287  .13942   .73 .0239
AlT2 .4321 .2576  .13929   .27 .0239
SiT2 .4321 .2576  .13929   .73 .0239
O1   .9548 .4440   .0550       .0246
O2   .3763 .2515   .0553       .0250
O3   .3748 .0919   .1726        .032
O4   .7343 .3026   .1609        .035
O5   .2336 .3764   .1731        .031
Oh   .9488 .0623   .0508        .029
H     .879  .124    .060         .08