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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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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