Crystal structure and powder X-ray diffraction data of the super-paramagnetic compound CuFeInTe3

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, M´erida 5101, Venezuela. cCentro Nacional de Tecnolog´ıas O´ pticas y Centro Investigaciones de Astronom´ıa, M´erida 5101, Venezuela.
  • J. A. Aitken Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, Pennsylvania 15282, United States.
  • H. Cabrera Sezione di Trieste, Istituto Nazionale di Fisica Nucleare, 34149 Trieste, Italy.
  • J. Cisterna Departamento de Qu´ımica, Facultad de Ciencias B´asicas, Universidad de Antofagasta, Avda. Universidad de Antofagasta 02800, Campus Coloso, Antofagasta, 1240000, Chile.
  • A. A. Cárdenas Departamento de F´ısica, Facultad de Ciencias B´asicas, Universidad de Antofagasta, Avda. Universidad de Antofagasta 02800, Campus Coloso, Antofagasta, 1240000, Chile.
  • I. Brito Departamento de Qu´ımica, Facultad de Ciencias B´asicas, Universidad de Antofagasta, Avda. Universidad de Antofagasta 02800, Campus Coloso, Antofagasta, 1240000, Chile.

DOI:

https://doi.org/10.31349/RevMexFis.67.305

Keywords:

crystal structure, powder X-ray diffraction data, Rietveld, chalcogenide, semiconductor, alloys

Abstract

The crystal structure of the new CuFeInTe3 quaternary compound was studied by the Rietveld method from powder X-ray diffraction data. The CuFeInTe3 compound crystallize in the tetragonal CuFeInSe3-type structure with space group P2c (Nº 112), and unit cell parameters a = 6.1842(1) Å, c = 12.4163(2) Å, V = 474.85(1) Å3. The density of CuFeInTe3 is rx = 5.753 g cm−3. The reliability factors of the Rietveld refinement results are Rp= 5.5%, Rwp= 6.1%, Rexp= 4.7%, and S= 1.3. The powder XRD data of CuFeInTe3 are presented and the figures of merit of indexation are M20 = 79.4 and F30 = 43.3 (0.0045, 154).

References

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

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

R. Liu et al., Chem. Comm. 48 (2012) 3818.

N. Cheng, R. Liu, S. Bai, X. Shi, L. Chen. J. Appl. Phys. 115 (2014) 163705.

J. Yang, S. Chen, Z. Du, X. Liu, J. Cui. Dalton Trans. 43 (2014) 15228.

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

P. Grima-Gallardo et al., Rev. LatinAm. Metal. Mat. 38 (2018) 53.

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

PDF-ICDD, International Centre for Diffraction Data, Newtown Square, PA, USA (2020).

ICSD, Inorganic Crystal Structure Database, Gemlin Institute, Kalrsruhe, Germany (2016).

Springer Materials, https://materials.springer.com (2020-11-02).

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

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

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

A.J. Markvardsen et al., J. Appl. Cryst. 41 (2008)1177.

A.D. Mighell, C.R. Hubbard, J.K. Stalick. NBS’AIDS, National Bureau of Standards, Technical Note 1141, USA (1981).

P.M. de Wolff. J. Appl. Cryst. 1 (1968) 108.

G. S. Smith, R.L. Snyder, J. Appl. Cryst. 12 (1979) 60.

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

J. Rodriguez-Carvajal. Phys. B, 192 (1993) 55.

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

D. Fruchart et al., Mater. Res. Bull. 10 (1975) 169.

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.

R.J. Hill, C.J. Howard. J. Appl. Cryst. 20 (1987) 467.

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

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).

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

A.J. Mora, G.E. Delgado, C. Pineda, T. Tinoco. phys. stat. sol. (a), 201 (2004) 1477.

G.E. Delgado et al., Phys. B 403 (2008) 3228.

G.E. Delgado et al., Chalcogenide Lett. 6 (2009) 335.

G.E. Delgado et al., Chalcogenide Lett. 7 (2010) 133.

G.E. Delgado, E. Quintero, R. Tovar, P. Grima-Gallardo, M. Quintero. J. Alloys Comp. 613 (2014) 143.

G.E. Delgado, A.J. Mora, C. Pineda, R. Avila-Godoy, S. Paredes-Dugarte. Rev. LatinAm. Metal. Mat. 35 (2015) 110.

G.E. Delgado et al., Mater. Res. 19 (2016) 1423.

G.E. Delgado, E. Guedez, G. Sanchez-Pérez, C. Rincón, G. Marroquin. Rev. Materia, 24 (2019) e123290.

G.E. Delgado, C. Rincón, G. Marroquin. Rev. Mex. Fís. 65 (2019) 360.

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Published

2021-07-15

How to Cite

[1]
G. E. Delgado, “Crystal structure and powder X-ray diffraction data of the super-paramagnetic compound CuFeInTe3”, Rev. Mex. Fís., vol. 67, no. 2 Mar-Apr, pp. 305–311, Jul. 2021.