The polychalcogenide compound AuCuSe4 crystallizes in the monoclinic space group P21/m with a = 4.318(2) Å, b = 7.447(1) Å, c = 8.099(1) Å, β = 93.33(2)°, and Z = 2. The structure of AuCuSe4 is a unique three-dimensional framework assembled from formally Au3+ and Cu+ ions and Se3 2- and Se2- fragments. Conceptually, the framework is composed of one-dimensional [Au(Se3)Se]n n- chains linked by Cu+ atoms. The Au atoms adopt a square planar geometry while Cu atoms adopt a severely distorted tetrahedral geometry. The Se3 2- ligand in this structure shows an unprecedented ligation mode using both its terminal and internal selenium atoms. The material is a p-type narrow gap semiconductor with a band gap of ∼0.52 eV.
ASJC Scopus subject areas
- Inorganic Chemistry