Orbital - Vol. 13 No. 3 - April-June 2021
FULL PAPERS

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

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  • Gerzon E. Delgado,
  • Giovanni Marín,
  • Syed Wasim,
  • Carlos Rincón,
  • Dinesh P. Singh
Gerzon E. Delgado
Laboratorio de Cristalografía, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101
Giovanni Marín
Millennium Institute for Research in Optics (MIRO), Concepción
Syed Wasim
Centro de Estudios en Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida
Carlos Rincón
Centro de Estudios en Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida
Dinesh P. Singh
Millennium Institute for Research in Optics (MIRO), Concepción and Departamento de Física, Facultad de Ciencias, Universidad de Santiago, Santiago
Graphical abstract
Published July 6, 2021
Keywords
  • Crystal structure,
  • Powder X-ray diffraction,
  • Rietveld method,
  • Semiconductor
How to Cite
(1)
Delgado, G. E.; Marín, G.; Wasim, S.; Rincón, C.; Singh, D. P. Synthesis and Crystal Structure of the Ordered Vacancy Compound Cu3In5Se9. Orbital: Electron. J. Chem. 2021, 13, 236-240.

Copyright (c) 2021 Orbital: The Electronic Journal of Chemistry

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Abstract

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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