The new P-chalcopyrite compound Cu2FeIn2Se5; synthesis, thermal analysis (DTA), and crystal structure analysis by X-ray powder diffraction (XRPD)

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
  • P. Grima-Gallardo Centro de Estudios de Semiconductores, Departamento de F´ısica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101, Venezuela. Centro Nacional de Tecnologıas Opticas y Centro de Investigaciones de Astronomıa, Merida 5101, Venezuela.
  • J. A. Aitken Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, Pennsylvania 15282, United States.
  • A. Cárdenas Department of Chemistry and Biochemistry,
  • I. Brito Departamento de Quimica, Facultad de Ciencias Basicas,

DOI:

https://doi.org/10.31349/RevMexFis.67.18

Keywords:

Crystal structure, X-ray powder diffraction, Rietveld refinement, P-chalcopyrite, chemical synthesis, differential thermal analysis, CuInSe2, semiconductor

Abstract

The Cu2FeIn2Se5 alloy, belonging to the system (CuInSe2)1-x(FeSe)x with x= ⅓, was synthesized by the melt and annealing technique. The differential thermal analysis (DTA) indicates that this compound melts at 1017 K. The crystal structure of this new quaternary compound was established using powder X-ray diffraction. Cation distribution analysis indicates that this material crystallizes in a P-chalcopyrite structure, space group P2c (Nº 112), with unit cell parameters a = 6.1852(2) Å, c = 12.3633(9) Å, V = 472.98(4) Å3. Cu2FeIn2Se5 is a new adamantane type compound derivative of the sphalerite structure, and consists of a three-dimensional arrangement of distorted CuSe4, FeSe4, and InSe4 tetrahedral connected by common faces.

References

J.L. Shay, J.H. Wernik, Ternary Chalcopyrite Semiconductors: Growth, Electronic Properties, and applications. Pergamon Press, Oxford, UK. (1974).

B.R. Pamplin, T. Kiyosawa, K. Masumoto. Prog. Cryst. Growth Charact. Mater. 1 (1979) 331.

J.E. Jaffe, A. Zunger. Phys. Rev. B. 29 (1984) 1882.

L. Pauling, L.O. Brockway. Z. Kristallogr. 82 (1932) 188.

E. Parthé: Wurtzite and Sphalerite Structures. In: J.H. Westbrook, R.L. Fleischer (Eds), Intermetallic Compounds, Principles and Applications. John Wiley & Sons, Chichester, UK (1995).

P. Grima-Gallardo et al., phys. stat. sol. (a), 187 (2001) 395.

P. Grima-Gallardo et al., phys. stat. sol. (a), 193 (2002) 217.

P. Grima-Gallardo et al., phys. stat. sol. (a), 241 (2004) 1789.

P. Grima-Gallardo et al., phys. stat. sol. (a), 204 (2007) 1093.

A.J. Mora, G.E. Delgado, P. Grima-Gallardo, phys. stat. sol. (a), 204 (2007) 547.

G.E. Delgado, A.J. Mora, P. Grima-Gallardo, M. Quintero, J. Alloys Comp. 454 (2008) 306.

P. Grima-Gallardo et al., J. Alloys Comp. 630 (2015) 146.

G.E. Delgado, J.A. Flores-Cruz, P. Grima-Gallardo, M. Quintero, A. Moreno. Mater. Res. 29 (2018) e20160748.

G.M. Ford, Q. Guo, R. Agrawal, H.W. Hillhouse, W. Hugh. Chem. Mater. 23 (2011) 2626.

Q. Guo Q. et al., J. Am. Chem. Soc. 132 (2010) 17384.

Y. Li et al., J. Phys. Condens. Matter. 23 (2011) 11.

H. Cabrera et al., J. Alloys Comp. 651 (2015) 490e496.

S.A. Chambers, Y.K. Yoo. MRS Bull. 28 (2003) 706.

P. Grima-Gallardo et al., phys. stat. sol. (a), 209 (2012) 1141.

J. Parkes, R.D. Tomlinson, M.J. Hampshire. J. Appl. Cryst. 6 (1973) 414.

K.S. Knight. Mater. Res. Bull. 27 (1992) 161.

H. Okamoto. J. Phase Equilib. 12 (1991) 383.

A. Boultif, D. Löuer, J. Appl. Cryst. 37 (2004) 724.

W. Hönle, G. Kühn, U.C. Boehnke, Cryst. Res. Technol. 23 (1998) 1347.

H.M. Rietveld, J. Appl. Cryst. 2 (1969) 65.

J. Rodriguez-Carvajal, Fullprof ver. 7.3, Laboratoire Léon Brillouin (CEA-CNRS), France (2020).

G. Cagliotti, A. Paoletti, F.P. Ricci, Nucl. Instrum. 3 (1958) 223.

P. Thompson, D.E. Cox, J.B. Hastings, J. Appl. Cryst. 20 (1987) 79.

S.D. Shannon, Acta Cryst. A. 32 (1976) 751.

G.E. Delgado, A.J. Mora, G. Marcano, C. Rincón. Mater. Res. Bull. 38 (2003) 1949.

G.E. Delgado, V. Sagredo. Bull. Mater. Sci. 39 (2016) 1631.

G. Marroquin, G.E. Delgado, P. Grima-Gallardo, M. Quintero. Rev. Mex. Fís. 64 (2018) 548.

G.E. Delgado, L. Manfredy, S.A. López-Rivera, Powder Diffr. 33 (2018) 237.

I.D. Brown, D. Altermatt. Acta Cryst. B. 41 (1985) 244.

N.E. Brese, M. O’Keeffe. Acta Cryst. B. 47 (1991) 192.

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Published

2021-01-07

How to Cite

[1]
G. E. Delgado, P. Grima-Gallardo, J. A. Aitken, A. Cárdenas, and I. Brito, “The new P-chalcopyrite compound Cu2FeIn2Se5; synthesis, thermal analysis (DTA), and crystal structure analysis by X-ray powder diffraction (XRPD)”, Rev. Mex. Fís., vol. 67, no. 1 Jan-Feb, pp. 18–24, Jan. 2021.

Issue

Vol. 67 No. 1 Jan-Feb (2021): Revista Mexicana de Física

Section

05 Condensed Matter

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Copyright (c) 2021 Gerzon E. Delgado

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