Synthesis and Characterization of Copper Hexathiometadiphosphate Cu2P2S6

Alexander Kuhn, Leslie M. Schoop, Roland Eger, Bettina V. Lotsch

Research output: Contribution to journalArticlepeer-review

11 Scopus citations


Copper hexathiometadiphosphate, Cu2P2S6, was synthesized and characterized. Brick-red copper hexathiometadiphosphate Cu2P2S6 crystallizes in the tetragonal space group P42/mnm (no. 136) with a = b = 5.2565(7), c = 15.066(3) Å and V = 416.3(1) Å3 in a novel structure type. This is the first hexathiometadiphosphate, whose crystal structure is based on a slightly distorted cubic closest packing of sulfur atoms. 1/3 of the tetrahedral voids are occupied by Cu and P in an ordered fashion, thus resulting in a layered structure. The structural motif of layers composed of corner-sharing CuS4 tetrahedra (comparable to red HgI2) that are separated by [P2S6]2- anions orientated perpendicular to these layers, is rarely found in solid state chemistry. The compound is diamagnetic and shows negligible electronic conductivity. Electronic structure calculations and UV/Vis measurements point to a bandgap in the visible range and explain the red color of the compound. Additionally, the oxidation state +1 for Cu was confirmed by the electronic structure calculations. The thermal properties of Cu2P2S6 were investigated by DTA.

Original languageEnglish (US)
Pages (from-to)356-360
Number of pages5
JournalZeitschrift fur Anorganische und Allgemeine Chemie
Issue number5
StatePublished - Mar 1 2016
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Inorganic Chemistry


  • CuPS
  • Polyanions
  • Thiophosphates
  • UV/Vis spectroscopy
  • X-ray diffraction


Dive into the research topics of 'Synthesis and Characterization of Copper Hexathiometadiphosphate Cu2P2S6'. Together they form a unique fingerprint.

Cite this