Paragonite
Comodi P, Zanazzi P F
Physics and Chemistry of Minerals 24 (1997) 274-280
Pressure dependence of structural parameters of paragonite
Sample: P = .0001 kbar
Note: z-coordinate for T1 altered by author, Dec 2003
_database_code_amcsd 0008000
5.135 8.906 19.384 90 94.6 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)
SiT1 .9555 .4284 .1403 .7525       .0092  .0094  .0149  .0002  .0007  .0001
AlT1 .9555 .4284 .1403 .2475       .0092  .0094  .0149  .0002  .0007  .0001
SiT2 .4423 .2575 .1403 .7525       .0091  .0090  .0145  .0003  .0001  .0002
AlT2 .4423 .2575 .1403 .2475       .0091  .0090  .0145  .0003  .0001  .0002
AlM2 .2501 .0834 .0000  .985       .0076  .0079  .0135 -.0005  .0003  .0002
TiM2 .2501 .0834 .0000 .0035       .0076  .0079  .0135 -.0005  .0003  .0002
FeM2 .2501 .0834 .0000  .005       .0076  .0079  .0135 -.0005  .0003  .0002
MnM2 .2501 .0834 .0000  .001       .0076  .0079  .0135 -.0005  .0003  .0002
MgM2 .2501 .0834 .0000  .003       .0076  .0079  .0135 -.0005  .0003  .0002
Na       0 .0946   .25   .88       .0293  .0365  .0295      0  .0092      0
K        0 .0946   .25    .1       .0293  .0365  .0295      0  .0092      0
Ca       0 .0946   .25   .01       .0293  .0365  .0295      0  .0092      0
Ba       0 .0946   .25   .01       .0293  .0365  .0295      0  .0092      0
O1   .9581 .4439 .0553             .0095  .0107  .0150  .0015  .0002  .0016
O2   .3807 .2517 .0554             .0116  .0077  .0149  .0003 -.0010  .0003
O3   .3785 .0918 .1737             .0190  .0126  .0175   .007  .0016  .0009
O4   .7513 .2968 .1622             .0154  .0173  .0200  -.024 -.0008  .0017
O5   .2505 .3811 .1743             .0148  .0165  .0176  .0023 -.0004 -.0018
OH   .9527 .0626 .0512             .0101  .0110  .0178 -.0020  .0017  -.033
H     .373  .636  .071        .08