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Title: Synthesis, crystal and electronic structure, and physical properties of the new lanthanum copper telluride La{sub 3}Cu{sub 5}Te{sub 7}

Abstract

The new lanthanum copper telluride La{sub 3}Cu{sub 5-x}Te{sub 7} has been obtained by annealing the elements at 1073 K. Single-crystal X-ray diffraction studies revealed that the title compound crystallizes in a new structure type, space group Pnma (no. 62) with lattice dimensions of a=8.2326(3) A, b=25.9466(9) A, c=7.3402(3) A, V=1567.9(1) A{sup 3}, Z=4 for La{sub 3}Cu{sub 4.86(4)}Te{sub 7}. The structure of La{sub 3}Cu{sub 5-x}Te{sub 7} is remarkably complex. The Cu and Te atoms build up a three-dimensional covalent network. The coordination polyhedra include trigonal LaTe{sub 6} prisms, capped trigonal LaTe{sub 7} prisms, CuTe{sub 4} tetrahedra, and CuTe{sub 3} pyramids. All Cu sites exhibit deficiencies of various extents. Electrical property measurements on a sintered pellet of La{sub 3}Cu{sub 4.86}Te{sub 7} indicate that it is a p-type semiconductor in accordance with the electronic structure calculations. -- Graphical abstract: Oligomeric unit comprising interconnected CuTe{sub 3} pyramids and CuTe{sub 4} tetrahedra. Display Omitted Research highlights: {yields} La{sub 3}Cu{sub 5-x}Te{sub 7} adopts a new structure type. {yields} All Cu sites exhibit deficiencies of various extents. {yields} The coordination polyhedra include trigonal LaTe{sub 6} prisms, capped trigonal LaTe{sub 7} prisms, CuTe{sub 4} tetrahedra and CuTe{sub 3} pyramids. {yields} La{sub 3}Cu{sub 5-x}Te{sub 7} is a p-type semiconductor.

Authors:
;  [1];  [1]
  1. Department of Chemistry, University of Waterloo, Waterloo, ON, Canada N2L 3G1 (Canada)
Publication Date:
OSTI Identifier:
21494215
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 184; Journal Issue: 3; Other Information: DOI: 10.1016/j.jssc.2011.01.002; PII: S0022-4596(11)00003-X; Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANNEALING; COPPER TELLURIDES; ELECTRICAL PROPERTIES; ELECTRONIC STRUCTURE; LANTHANUM TELLURIDES; MONOCRYSTALS; ORTHORHOMBIC LATTICES; SEMICONDUCTOR MATERIALS; SPACE GROUPS; SYNTHESIS; TEMPERATURE RANGE 1000-4000 K; X-RAY DIFFRACTION; CHALCOGENIDES; COHERENT SCATTERING; COPPER COMPOUNDS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; CRYSTALS; DIFFRACTION; HEAT TREATMENTS; LANTHANUM COMPOUNDS; MATERIALS; PHYSICAL PROPERTIES; RARE EARTH COMPOUNDS; SCATTERING; SYMMETRY GROUPS; TELLURIDES; TELLURIUM COMPOUNDS; TEMPERATURE RANGE; TRANSITION ELEMENT COMPOUNDS

Citation Formats

Zelinska, Mariya, Assoud, Abdeljalil, and Kleinke, Holger, E-mail: kleinke@uwaterloo.c. Synthesis, crystal and electronic structure, and physical properties of the new lanthanum copper telluride La{sub 3}Cu{sub 5}Te{sub 7}. United States: N. p., 2011. Web. doi:10.1016/j.jssc.2011.01.002.
Zelinska, Mariya, Assoud, Abdeljalil, & Kleinke, Holger, E-mail: kleinke@uwaterloo.c. Synthesis, crystal and electronic structure, and physical properties of the new lanthanum copper telluride La{sub 3}Cu{sub 5}Te{sub 7}. United States. doi:10.1016/j.jssc.2011.01.002.
Zelinska, Mariya, Assoud, Abdeljalil, and Kleinke, Holger, E-mail: kleinke@uwaterloo.c. Tue . "Synthesis, crystal and electronic structure, and physical properties of the new lanthanum copper telluride La{sub 3}Cu{sub 5}Te{sub 7}". United States. doi:10.1016/j.jssc.2011.01.002.
@article{osti_21494215,
title = {Synthesis, crystal and electronic structure, and physical properties of the new lanthanum copper telluride La{sub 3}Cu{sub 5}Te{sub 7}},
author = {Zelinska, Mariya and Assoud, Abdeljalil and Kleinke, Holger, E-mail: kleinke@uwaterloo.c},
abstractNote = {The new lanthanum copper telluride La{sub 3}Cu{sub 5-x}Te{sub 7} has been obtained by annealing the elements at 1073 K. Single-crystal X-ray diffraction studies revealed that the title compound crystallizes in a new structure type, space group Pnma (no. 62) with lattice dimensions of a=8.2326(3) A, b=25.9466(9) A, c=7.3402(3) A, V=1567.9(1) A{sup 3}, Z=4 for La{sub 3}Cu{sub 4.86(4)}Te{sub 7}. The structure of La{sub 3}Cu{sub 5-x}Te{sub 7} is remarkably complex. The Cu and Te atoms build up a three-dimensional covalent network. The coordination polyhedra include trigonal LaTe{sub 6} prisms, capped trigonal LaTe{sub 7} prisms, CuTe{sub 4} tetrahedra, and CuTe{sub 3} pyramids. All Cu sites exhibit deficiencies of various extents. Electrical property measurements on a sintered pellet of La{sub 3}Cu{sub 4.86}Te{sub 7} indicate that it is a p-type semiconductor in accordance with the electronic structure calculations. -- Graphical abstract: Oligomeric unit comprising interconnected CuTe{sub 3} pyramids and CuTe{sub 4} tetrahedra. Display Omitted Research highlights: {yields} La{sub 3}Cu{sub 5-x}Te{sub 7} adopts a new structure type. {yields} All Cu sites exhibit deficiencies of various extents. {yields} The coordination polyhedra include trigonal LaTe{sub 6} prisms, capped trigonal LaTe{sub 7} prisms, CuTe{sub 4} tetrahedra and CuTe{sub 3} pyramids. {yields} La{sub 3}Cu{sub 5-x}Te{sub 7} is a p-type semiconductor.},
doi = {10.1016/j.jssc.2011.01.002},
journal = {Journal of Solid State Chemistry},
number = 3,
volume = 184,
place = {United States},
year = {Tue Mar 15 00:00:00 EDT 2011},
month = {Tue Mar 15 00:00:00 EDT 2011}
}
  • The title compounds were prepared from the elements in the stoichiometric ratio at 800deg. C under exclusion of air. Tl{sub 6}Si{sub 2}Te{sub 6} crystallizes in the space group P1-bar , isostructural with Tl{sub 6}Ge{sub 2}Te{sub 6}, with a=9.4235(6)A, b=9.6606(7)A, c=10.3889(7)A, {alpha}=89.158(2){sup o}, {beta}=96.544(2){sup o}, {gamma}=100.685(2){sup o}, V=923.3(1)A{sup 3} (Z=2). Its structure is composed of dimeric [Si{sub 2}Te{sub 6}]{sup 6-} units with a Si-Si single bond, while the Tl atoms are irregularly coordinated by five to six Te atoms. Numerous weakly bonding Tl-Tl contacts exist. Both title compounds are black semiconductors with small band gaps, calculated to be 0.9eV for Tl{submore » 6}Si{sub 2}Te{sub 6} and 0.5eV for Tl{sub 6}Ge{sub 2}Te{sub 6}. The Seebeck coefficients are +65{mu}VK{sup -1} in case of Tl{sub 6}Si{sub 2}Te{sub 6} and +150{mu}VK{sup -1} in case of Tl{sub 6}Ge{sub 2}Te{sub 6} at 300K, and the electrical conductivities are 5.5 and 3{omega}{sup -1}cm{sup -1}, respectively.« less
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