Crystal structure and elementary properties of PbS2 with a pressure–stabilized S-S dimer

Danrui Ni, Shu Guo, Kelly M. Powderly, Ruidan Zhong, Jingjing Lin, Tai Kong, F. Alex Cevallos, Robert J. Cava

Research output: Contribution to journalArticlepeer-review

4 Scopus citations


PbS2 and Pb0.9Ag0.1S2 were prepared through the reaction of PbS with excess sulfur (and silver) at 4 GPa and 600 °C. PbS2 crystallizes in the CuAl2 structure type, (I4/mcm (#140), a = 6.1106(5) Å c = 7.4949(6) Å Z = 4), determined by single crystal X-ray diffraction. Its structure consists of layers of [S2]2- dimers and Pb2+ in square antiprismatic coordination – a rare structure type for metal dichalcogenides. Electronic structure calculations suggest that the material should be an indirect band gap semiconductor. Consistent with the calculations, the temperature-dependent resistivity of undoped PbS2 is that of a degenerate semiconductor, while the Ag-doped material shows metallic temperature dependent resistivity down to 2 K. The materials are both diamagnetic. For the Ag-doped material, the Seebeck coefficient is small and shows nearly linear temperature-dependent behavior from 50 to 250 K.

Original languageEnglish (US)
Pages (from-to)442-446
Number of pages5
JournalJournal of Solid State Chemistry
StatePublished - Jan 2019

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


  • Disulfide
  • High pressure
  • Lead dichalcogenide
  • Single crystal X-ray diffraction
  • Sulfur dimer


Dive into the research topics of 'Crystal structure and elementary properties of PbS2 with a pressure–stabilized S-S dimer'. Together they form a unique fingerprint.

Cite this