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

Autor: Gerzon E. Delgado, Giovanni Marin, Syed Wasim, Carlos Rincón, Dinesh P. Singh
Jazyk: angličtina
Rok vydání: 2021
Předmět:
Zdroj: Orbital: The Electronic Journal of Chemistry, Vol 13, Iss 3, Pp 236-240 (2021)
Druh dokumentu: article
ISSN: 1984-6428
DOI: 10.17807/orbital.v13i3.1560
Popis: This work focuses on the preparation and structural characterization of the semiconductor Cu3In5Se9, an important member of ordered vacancy compounds family, belonging to the semiconductor system I3-III5--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. Cu3In5Se9 crystallizes with tetragonal symmetry in the space group P2c (Nº 112), with a = 5.7657(1) Å, c = 11.5353(4) Å, V = 383.47(2) Å3. 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. Cu3In5Se9 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. DO: http://dx.doi.org/10.17807/orbital.v13i3.1560
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