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American Mineralogist Crystal Structure Database

1 matching records for this search.

Neltnerite
Download hom/neltnerite.pdf 
de Villiers J P R, Dobson S M, Buseck P R
  
European Journal of Mineralogy 3 (1991) 567-573
Refinement of the crystal structure of neltnerite,
a member of the bixbyite-braunite group of minerals
_database_code_amcsd 0006420
9.468 9.468 18.862 90 90 90 *I4_1/acd
0 -.25 .125
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaM1     0   1/4  .125 .95 .0053  .0050  .0050  .0059 -.0009      0      0
MnM1     0   1/4  .125 .05 .0053  .0050  .0050  .0059 -.0009      0      0
MnM2     0     0     0     .0045  .0044  .0047  .0043 -.0015 -.0010 -.0001
MnM3 .0283     0   1/4     .0048  .0037  .0052  .0055      0      0  .0014
MnM4 .2375 .4875  .125     .0045  .0045  .0045  .0044 -.0011  .0003 -.0003
Si       0   1/4  .375     .0044  .0037  .0037  .0058      0      0      0
O1   .1566 .3642 .0531     .0064  .0071  .0048  .0074 -.0012  .0014 -.0008
O2   .1422 .0791 .0564     .0052  .0054  .0054  .0048 -.0014 -.0012 -.0001
O3   .4212 .1355 .0748     .0069  .0070  .0074  .0064 -.0009 -.0012 -.0018


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