The Crystal Structure of La3Pb0.1Ga1.6S7 and Pr3Pb0.1Ga1.6S7 Compounds

  • N.M. Blashko Lesya Ukrainka Volyn National University
  • O.V. Smitiukh Lesya Ukrainka Volyn National University
  • O.V. Marchuk Lesya Ukrainka Volyn National University
Keywords: crystal structure, X-ray methods, rare-earth metal chalcogenides


The crystal structure of La3Pb0.1Ga1.6S7 and Pr3Pb0.1Ga1.6S7 compounds was determined by X-ray powder diffraction method. The samples were prepared by solid-solid reactions of the elements at 1370 K. The compounds crystallize in the La3CuSiS7 structure type, space group P63, with the lattice and computation parameters a = 1.01902(3) nm, c = 0.60661(2) nm, RI = 0.0673, RP = 0.1546 (for La3Pb0.1Ga1.6S7) and a = 1.00034(3) nm, c = 0.60587(3) nm, RI = 0.0847, RP = 0.1623 (for Pr3Pb0.1Ga1.6S7). The crystalline structure is described with hexagonal system, in which La(Pr) atoms center trigonal prisms with one additional atom. These prisms are formed by S atoms. The atoms of the statistical mixture M1(0.600 Ga + 0.090 Pb) and M2 (0.59(1) Ga + 0.095(7) Pb) are located practically in the centers of the octahedra of S atoms. Ga atoms are located in tetrahedra of S atoms. Asymmetric structure of the studied compounds points out their non-linear properties. Adding Pb atoms to the structure of La3Ga1.67S(Se)7 compounds increases the probability of formation of the ionic component of the inter-atomic bond, and this in turn improves thermoelectric properties.


G.V. Samsonow, Poroshkovaya Metallurgiya 4(10), 11 (1962);

A. Mazurier, J. Etienne, Acta Cryst. B. 30, 759 (1974);

S. Guo, G. Guo, J. Huang, Sci. China Ser. B-Chem. 52, 1609 (2009);

A.M. Loireau-Lozac'h, M. Guittard, J. Flahaut, Mater. Res. Bull. 12, 881 (1977);

A. Choudhury, P.K. Dorhout, Inorg. Chem. 54, 1055 (2015);

P. Němec, V. Nazabal, M. Pavlišta, A. Moreac, M. Frumar, M. Vlček, Materials Chemistry and Physics. 117, 23 (2009);

Y. Grin, L. Akselrud, J. Appl. Cryst. 47, 803 (2014);

M. Guittard, M. Julien-Pouzol, Bull. Soc. Chim. Fr. 6, 2207 (1972).

R.D. Shannon, Acta Cryst. 39, 751 (1976);

How to Cite
BlashkoN., SmitiukhO., & MarchukO. (2022). The Crystal Structure of La3Pb0.1Ga1.6S7 and Pr3Pb0.1Ga1.6S7 Compounds. Physics and Chemistry of Solid State, 23(1), 96-100.
Scientific articles (Chemistry)