American Mineralogist Crystal Structure Database

2 matching records for this search.

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 : 1M
_database_code_amcsd 0006481
5.3655 9.293 10.198 90 100.47 90 C2/m
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
KMi      0    .5     0  .92  .0221  .0075  .0080      0  .0021      0
NaMi     0    .5     0  .09  .0221  .0075  .0080      0  .0021      0
CaMi     0    .5     0  .01  .0221  .0075  .0080      0  .0021      0
RbMi     0    .5     0  .01  .0221  .0075  .0080      0  .0021      0
AlM1     0     0    .5  .11  .0069  .0025  .0030      0  .0011      0
MgM1     0     0    .5  .01  .0069  .0025  .0030      0  .0011      0
FeM1     0     0    .5  .72  .0069  .0025  .0030      0  .0011      0
MnM1     0     0    .5  .03  .0069  .0025  .0030      0  .0011      0
LiM1     0     0    .5  .11  .0069  .0025  .0030      0  .0011      0
AlM2     0 .3307    .5  .18  .0060  .0026  .0029      0  .0006      0
MgM2     0 .3307    .5  .01  .0060  .0026  .0029      0  .0006      0
FeM2     0 .3307    .5  .65  .0060  .0026  .0029      0  .0006      0
MnM2     0 .3307    .5  .02  .0060  .0026  .0029      0  .0006      0
LiM2     0 .3307    .5  .11  .0060  .0026  .0029      0  .0006      0
SiT  .0755 .1666 .2253 .745  .0062  .0025  .0027      0  .0008      0
AlT  .0755 .1666 .2253 .255  .0062  .0025  .0027      0  .0008      0
O1   .0487     0 .1676       .0230  .0042  .0043      0  .0007      0
O2   .3085 .2466 .1671       .0162  .0068  .0040 -.0026  .0012 -.0001
O3   .1321 .1668 .3905       .0137  .0043  .0031  .0002  .0013      0
OH   .1245    .5 .3929  .49  .0093  .0059  .0038      0  .0011      0
F    .1245    .5 .3929 .495  .0093  .0059  .0038      0  .0011      0
Cl   .1245    .5 .3929 .015  .0093  .0059  .0038      0  .0011      0
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View JMOL 3-D Structure (permalink)
 
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
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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