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- Title
Synthesis and Characterization of Copper Hexathiometadiphosphate Cu<sub>2</sub>P<sub>2</sub>S<sub>6</sub>.
- Authors
Kuhn, Alexander; Schoop, Leslie M.; Eger, Roland; Lotsch, Bettina V.
- Abstract
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) Šand V = 416.3(1) ų 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.
- Subjects
COPPER phosphate; PYROPHOSPHATES; ELECTRONIC structure; CRYSTAL structure; OXIDATION states; BAND gaps; COPPER compounds synthesis; ULTRAVIOLET-visible spectroscopy
- Publication
Zeitschrift für Anorganische und Allgemeine Chemie, 2016, Vol 642, Issue 5, p356
- ISSN
0044-2313
- Publication type
Article
- DOI
10.1002/zaac.201500810