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Schumer, Benjamin N., Downs, Robert T., Domanik, Kenneth J., Andrade, Marcelo B., Origlieri, Marcus J. (2013) Pirquitasite, Ag2ZnSnS4. Acta Crystallographica Section E Structure Reports Online, 69 (2) 8-9 doi:10.1107/s1600536813001013

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Reference TypeJournal (article/letter/editorial)
TitlePirquitasite, Ag2ZnSnS4
JournalActa Crystallographica Section E Structure Reports Online
AuthorsSchumer, Benjamin N.Author
Downs, Robert T.Author
Domanik, Kenneth J.Author
Andrade, Marcelo B.Author
Origlieri, Marcus J.Author
Year2013 (February 15)Volume69
Issue2
PublisherInternational Union of Crystallography (IUCr)
Download URLhttps://rruff.info/rruff_1.0/uploads/ACE69_i8.pdf+
DOIdoi:10.1107/s1600536813001013Search in ResearchGate
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Mindat Ref. ID4744124Long-form Identifiermindat:1:5:4744124:2
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Full ReferenceSchumer, Benjamin N., Downs, Robert T., Domanik, Kenneth J., Andrade, Marcelo B., Origlieri, Marcus J. (2013) Pirquitasite, Ag2ZnSnS4. Acta Crystallographica Section E Structure Reports Online, 69 (2) 8-9 doi:10.1107/s1600536813001013
Plain TextSchumer, Benjamin N., Downs, Robert T., Domanik, Kenneth J., Andrade, Marcelo B., Origlieri, Marcus J. (2013) Pirquitasite, Ag2ZnSnS4. Acta Crystallographica Section E Structure Reports Online, 69 (2) 8-9 doi:10.1107/s1600536813001013
In(2013, February) Acta Crystallographica Section E Structure Reports Online Vol. 69 (2) International Union of Crystallography (IUCr)
Abstract/NotesPirquitasite, ideally Ag2ZnSnS4(disilver zinc tin tetrasulfide), exhibits tetragonal symmetry and is a member of the stannite group that has the general formulaA2BCX4, withA= Ag, Cu;B= Zn, Cd, Fe, Cu, Hg;C= Sn, Ge, Sb, As; andX= S, Se. In this study, single-crystal X-ray diffraction data are used to determine the structure of pirquitasite from a twinned crystal from the type locality, the Pirquitas deposit, Jujuy Province, Argentina, with anisotropic displacement parameters for all atoms, and a measured composition of (Ag1.87Cu0.13)(Zn0.61Fe0.36Cd0.03)SnS4. One Ag atom is located on Wyckoff site Wyckoff 2a(symmetry -4..), the other Ag atom is statistically disordered with minor amounts of Cu and is located on 2c(-4..), the (Zn, Fe, Cd) site on 2d(-4..), Sn on 2b(-4..), and S on general site 8g. This is the first determination of the crystal structure of pirquitasite, and our data indicate that the space group of pirquitasite is I-4, rather than I-42m as previously suggested. The structure was refined under consideration of twinning by inversion [twin ratio of the components 0.91 (6):0.09 (6)].

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