Pirquitasite, Ag2ZnSnS4

Benjamin N. Schumer, Robert T. Downs, Kenneth J. Domanik, Marcelo B. Andrade, Marcus J. Origlieri

Research output: Contribution to journalArticle

2 Scopus citations

Abstract

Pirquitasite, ideally Ag2ZnSnS4 (disilver zinc tin tetrasulfide), exhibits tetragonal symmetry and is a member of the stannite group that has the general formula A2BCX 4, with A = Ag, Cu; B = Zn, Cd, Fe, Cu, Hg; C = Sn, Ge, Sb, As; and X = 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)].

Original languageEnglish (US)
Pages (from-to)i8-i9
JournalActa Crystallographica Section E: Structure Reports Online
Volume69
Issue number2
DOIs
StatePublished - Feb 1 2013

Keywords

  • R factor = 0.027
  • T = 293 K
  • data-to-parameter ratio = 24.0
  • disorder in main residue
  • mean σ(Sn-S) = 0.002 Å
  • single-crystal X-ray study
  • wR factor = 0.070

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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    Schumer, B. N., Downs, R. T., Domanik, K. J., Andrade, M. B., & Origlieri, M. J. (2013). Pirquitasite, Ag2ZnSnS4. Acta Crystallographica Section E: Structure Reports Online, 69(2), i8-i9. https://doi.org/10.1107/S1600536813001013