Synthesis and Crystal Structure of the Ordered Vacancy Compound Cu3In5□Se9

This work focuses on the preparation and structural characterization of the semiconductor Cu3In5 square Se-9, an important member of ordered vacancy compounds family, belonging to the semiconductor system I-3-III5-square-VI9, where denotes the cation vacancy which is included in the formula to maintain the same number of cations and anions sites. This material was synthesized by the Bridgman-Stockbarger technique, and its structure was refined from powder X-ray diffraction data using the Rietveld method. Cu3In5 square Se-9 crystallizes with tetragonal symmetry in the space group P (4) over bar 2c (N degrees 112), with a = 5.7657(1) angstrom, c = 11.5353(4) angstrom, V = 383.47(2) angstrom(3). This ternary compound consists of a three-dimensional arrangement of distorted CuSe4 and InSe4 tetrahedral connected by common faces. In this structure, each Se atom is coordinated by four cations located at the corners of a slightly distorted tetrahedron, and each cation is tetrahedrally bonded to four anions. Cu3In5 square Se-9 is related to the p-type CuInSe2 and n-type CuIn3Se5 semiconductor compounds, which are being used in the preparation of high-efficiency solar cells.

Automated summary

This work focuses on the preparation and structural characterization of the semiconductor Cu3In5 square Se-9, which crystallizes with tetragonal symmetry and consists of distorted CuSe4 and InSe4 tetrahedra. The compound is related to p-type CuInSe2 and n-type CuIn3Se5 semiconductor compounds used in high-efficiency solar cells.