On the crystal structure of the ordered vacancy compound Cu3In5Te9

Authors

  • G. E. Delgado Laboratorio de Cristalografía, Departamento de Química, Facultad de Ciencias, Universidad De Los Andes, Mérida, Venezuela http://orcid.org/0000-0003-3970-2387
  • C. Rincón Centro de Estudios de Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela
  • G. Marroquin Escuela Superior de Ingeniería Química e Industrias Extractivas, Instituto Politécnico Nacional, Zacatenco 07738, Ciudad de México, México

DOI:

https://doi.org/10.31349/RevMexFis.65.360

Keywords:

Semiconductors, ordered vacancy compound, crystal structure, X-ray powder diffraction, rietveld refinement, CuInTe2

Abstract

The crystal structure of the ordered vacancy compound (OVC) Cu3In5Te9 was analyzed using powder X-ray diffraction data. Several structural models were derived from the structure of the Cu-poor Cu-In-Se compound b-Cu0.39In1.2Se2 by permuting the cations in the available site positions. The refinement of the best model by the Rietveld method in the tetragonal space group P2c (Nº 112), with unit cell parameters a = 6.1852(2) Å, c = 12.3633(9) Å, V = 472.98(4) Å3, led to Rp = 7.1 %, Rwp = 8.5 %, Rexp = 6.4 %, S = 1.3 for 162 independent reflections. This model has the following Wyckoff site atomic distribution: Cu1 in 2e (0,0,0); In1 in 2f (½,½,0), In2 in 2d (0,½,¼); Cu2-In3 in 2b (½,0,¼); in 2a (0,0,¼); Te in 8n (x,y,z).

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Published

2019-07-01

How to Cite

[1]
G. E. Delgado, C. Rincón, and G. Marroquin, “On the crystal structure of the ordered vacancy compound Cu3In5Te9”, Rev. Mex. Fís., vol. 65, no. 4 Jul-Aug, pp. 360–364, Jul. 2019.

Issue

Vol. 65 No. 4 Jul-Aug (2019): Revista Mexicana de Física

Section

05 Condensed Matter

License

Authors retain copyright and grant the Revista Mexicana de Física right of first publication with the work simultaneously licensed under a CC BY-NC-ND 4.0 that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.