American Mineralogist Crystal Structure Database

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Chalcothallite
Download hom/chalcothallite.pdf
Makovicky E, Johan Z, Karup-Moller S
Neues Jahrbuch fur Mineralogie, Abhandlungen 138 (1980) 122-146
New data on bukovite, thalcusite, chalcothallite and rohaite
Locality: Ilimaussaq massif, Greenland
_database_code_amcsd 0014710
3.827 3.827 34.280 90 90 90 I4/mmm
atom  x  y     z occ Uiso
Tl    0  0 .1483  .9 .027
K     0  0 .1483  .1 .027
Cu1   0 .5 .0570 .86 .022
Fe1   0 .5 .0570 .12 .022
Ag1   0 .5 .0570 .02 .022
Cu2   0 .5   .25 .86 .037
Fe2   0 .5   .25 .12 .037
Ag2   0 .5   .25 .02 .037
Cu3  .5 .5     0 .35 .031
Sb    0  0     0     .017
S1   .5 .5  .093     .000
S2   .5 .5  .214     .045
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