Protolithionite
Weiss Z, Rieder M, Smrcok L, Petricek V, Bailey S W
European Journal of Mineralogy 5 (1993) 493-502
Refinement of the crystal structures of two "protolithionites"
Sample : 3T
Note: x-coordinate of M3 changed in order to obey symmetry constraints
_database_code_amcsd 0006482
5.309 5.309 29.818 90 90 120 P3_112
atom      x      y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
KMi  -.1178  .1178  .8333  .92  .0265  .0265  .0008  .0136 -.0001 -.0001
NaMi -.1178  .1178  .8333  .03  .0265  .0265  .0008  .0136 -.0001 -.0001
RbMi -.1178  .1178  .8333  .04  .0265  .0265  .0008  .0136 -.0001 -.0001
CaMi -.1178  .1178  .8333  .01  .0265  .0265  .0008  .0136 -.0001 -.0001
FeM1  .8976  .4488      0  .67   .011   .011  .0002   .006  .0003  .0003
MnM1  .8976  .4488      0  .01   .011   .011  .0002   .006  .0003  .0003
LiM1  .8976  .4488      0  .12   .011   .011  .0002   .006  .0003  .0003
AlM2  .2356  .1178      0  .68   .011   .011  .0002   .010 -.0005 -.0005
FeM2  .2356  .1178      0  .25   .011   .011  .0002   .010 -.0005 -.0005
MnM2  .2356  .1178      0  .01   .011   .011  .0002   .010 -.0005 -.0005
FeM3  .5612  .7806      0  .67   .011   .011  .0004   .008 -.0004 -.0004
MnM3  .5612  .7806      0  .01   .011   .011  .0004   .008 -.0004 -.0004
LiM3  .5612  .7806      0  .25   .011   .011  .0004   .008 -.0004 -.0004
SiT1  .2212 -.2093 -.0913 .715   .010   .009  .0003  .0064  .0000  .0000
AlT1  .2212 -.2093 -.0913 .285   .010   .009  .0003  .0064  .0000  .0000
SiT2  .5496  .4454 -.0911  .77   .010   .007  .0002  .0048 -.0001  .0001
AlT2  .5496  .4454 -.0911  .23   .010   .007  .0002  .0048 -.0001  .0001
O1    .2330 -.1873 -.0362        .017   .023  .0005  .0011 -.0001  .0000
O2    .5372  .4269 -.0356        .019   .014  .0002   .009  .0001  .0002
O3    .3664  .1199 -.1132        .028   .014  .0004   .007 -.0001  .0001
O4   -.1163  .5963 -.1095        .018   .025  .0004   .007 -.0002 -.0003
O5    .4070 -.3622 -.1099        .028   .028  .0004   .020  .0004  .0004
OH   -.0683  .1137 -.0343  .47   .011   .011  .0003   .002  .0000 -.0002
F    -.0683  .1137 -.0343  .53   .011   .011  .0003   .002  .0000 -.0002