American Mineralogist Crystal Structure Database

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Picotpaulite
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Balic-Zunic T, Karanovic L, Poleti D
 
Acta Chimica Slovenica 55 (2008) 801-809
Crystal structure of picotpaulite, TlFe2S3, from Allchar, FYR Macedonia
Locality: Allchar, FYR Macedonia
_database_code_amcsd 0011971
9.083 10.754 5.412 90 90 90 Cmcm
atom     x     y   z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl      .5 .1609 .25 .0448   .045   .060   .029      0      0      0
Fe   .3518    .5   0 .0203   .020   .037   .004      0      0  -.001
S1      .5 .6212 .25  .019   .022   .028   .008      0      0      0
S2   .2191 .3827 .25  .028   .025   .046   .014  -.013      0      0
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