American Mineralogist Crystal Structure Database

1 matching records for this search.

Shirozulite
 
Ishida K, Hawthorne F C, Hirowatari F
Download am/vol89/AM89_232.pdf
American Mineralogist 89 (2004) 232-238
Shirozulite, KMn3(Si3Al)O10(OH)2, a new manganese-dominant trioctahedral mica:
Description and crystal structure
Note: Displacement factors for O1, O2 and O4 have been altered.
_database_code_amcsd 0003404
5.3791 9.319 10.2918 90 100.186 90 C2/m
atom     x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0      0      0 .91 .0319  .0335  .0273  .0344      0  .0048      0
Ba       0      0      0 .09 .0319  .0335  .0273  .0344      0  .0048      0
Mn1      0     .5     .5 .51 .0113  .0082  .0038  .0222      0  .0034      0
Ti1      0     .5     .5 .01 .0113  .0082  .0038  .0222      0  .0034      0
Al1      0     .5     .5 .10 .0113  .0082  .0038  .0222      0  .0034      0
Fe1      0     .5     .5 .07 .0113  .0082  .0038  .0222      0  .0034      0
Mg1      0     .5     .5 .31 .0113  .0082  .0038  .0222      0  .0034      0
Mn2      0 .83113     .5 .51 .0117  .0079  .0049  .0222      0  .0027      0
Ti2      0 .83113     .5 .01 .0117  .0079  .0049  .0222      0  .0027      0
Al2      0 .83113     .5 .10 .0117  .0079  .0049  .0222      0  .0027      0
Fe2      0 .83113     .5 .07 .0117  .0079  .0049  .0222      0  .0027      0
Mg2      0 .83113     .5 .31 .0117  .0079  .0049  .0222      0  .0027      0
Si   .5754 .16685 .22491 .64 .0126  .0108  .0063  .0207      0  .0028 -.0003
Al   .5754 .16685 .22491 .36 .0126  .0108  .0063  .0207      0  .0028 -.0003
O1   .8265  .2288  .1681     .0218  .0178  .0186  .0300 -.0065  .0062 -.0031
O2   .5141      0  .1678     .0213  .0250  .0090  .0280      0 -.0008      0
O3   .6303  .1675  .3885     .0163  .0161  .0105  .0219  .0004  .0019  .0006
Oh4  .1283      0  .3949 .99 .0191  .0180  .0190  .0200      0  .0020      0
F4   .1283      0  .3949 .01 .0191  .0180  .0190  .0200      0  .0020      0
H     .105      0  .2982 .99 .0100
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