Condensed rare-earth metal-rich tellurides. Extension of layered Sc{sub 6}PdTe{sub 2}-type compounds to yttrium and lutetium analogues and to Y{sub 7}Te{sub 2}, the limiting binary member
- Department of Chemistry, Iowa State University, Ames, IA 50011 (United States)
Six isotypic R{sub 6}ZTe{sub 2} phases have been synthesized in Ta at elevated temperatures and characterized by single crystal X-ray refinements for R=Y, Z=Rh, Pd, Ag, Y and for R=Lu, Z=Cu, Ag. All crystallize in the Sc{sub 6}PdTe{sub 2}-type structure, Pnma, Z=4, a{approx}21.5 A, b{approx}4.1 A, c{approx}11.4 A. The results can be viewed as the replacement of Te3 atoms in the parent isotypic Sc{sub 2}Te (or in the hypothetical Y{sub 2}Te or Lu{sub 2}Te analogues) by the above the Z, the Y example giving the new binary phase Y{sub 7}Te{sub 2}. The shorter (and stronger) metal-metal bonds concentrate in the region of metal (Z, Y) substitution, as revealed by larger integrated crystal orbital Hamilton population (ICOHP) values derived from linear muffin-tin-orbital (LMTO) calculations. Partial densities-of-states data for Y{sub 7}Te{sub 2} reflect a similar behavior. Individual R-R bond distances are seen to deviate appreciably from the more fundamental overlap population measures for each. - Graphical abstract: Substitutions at the same site in a common orthorhombic host structure convert the hypothetical Y{sub 2}Te (above) to eitherY{sub 6}ZTe{sub 2} or the new binary Y{sub 7}Te{sub 2}.
- OSTI ID:
- 21043741
- Journal Information:
- Journal of Solid State Chemistry, Vol. 180, Issue 11; Other Information: DOI: 10.1016/j.jssc.2007.09.012; PII: S0022-4596(07)00377-5; Copyright (c) 2007 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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