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

G. E. Delgado, P. Grima-Gallardo, J. A. Aitken, A. Cárdenas, I. Brito

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.


Keywords


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

Full Text:

PDF

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.




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

Refbacks

  • There are currently no refbacks.


Revista Mexicana de Física

ISSN: 2683-2224 (on line), 0035-001X (print)

Bimonthly publication of Sociedad Mexicana de Física, A.C.
Departamento de Física, 2o. Piso, Facultad de Ciencias, UNAM.
Circuito Exterior s/n, Ciudad Universitaria. C. P. 04510 Ciudad de México.
Apartado Postal 70-348, Coyoacán, 04511 Ciudad de México.
Tel/Fax: (52) 55-5622-4946, (52) 55-5622-4840. rmf@ciencias.unam.mx