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Title: Two extended metal chain compounds, Y/sub 4/I/sub 5/C and Y/sub 6/I/sub 7/C/sub 2/. Synthesis, structure, properties, and bonding

Abstract

The title phases are obtained in high yield from the reactions of stoichiometric quantities of Y, YI/sub 3/, and graphite at 850-950/degree/C in welded Nb containers. The crystal structures of the two phases determined by standard x-ray diffraction means are related to those published for Er/sub 4/I/sub 5/ and Er/sub 6/I/sub 7/ (C2/m, Z = 2, /alpha/ = 18.479 (6) and 21.557 (8) /angstrom/, b = 3.947 (1) and 3.909 (1) /angstrom/, c = 8.472 (3) and 12.374 (6) /angstrom/, /beta/ = 103.22 (4) and 123.55 (3)/degree/, R/R/sub w/ = 4.6/5.4 and 3.2/3.7% for Y/sub 4/I/sub 5/C and Y/sub 6/I/sub 7/C/sub 2/, respectively). The two compounds contain infinite single and double chains of carbon-centered yttrium octahedra, respectively, condensed by edge-sharing and sheathed by edge-bridging iodine atoms together with square-planar iodine atoms that bridge between chains. Extended Hueckel MO band calculations were carried out for the empty and the carbon-centered compounds in both structures. Metal-based bands near E/sub F/ in the empty chains exhibit characteristic strong interactions with carbon valence orbitals that generate low-lying valence bands. E/sub F/ in both cases falls within a broad, metal-based conduction band. Resistivity and magnetic susceptibility measurements on Y/sub 6/I/sub 7/C/sub 2/ support the predictedmore » metallic character. 26 refs., 11 figs., 3 tabs.« less

Authors:
; ; ; ;
Publication Date:
Research Org.:
Iowa State Univ., Ames (USA)
OSTI Identifier:
5828463
Resource Type:
Journal Article
Journal Name:
Inorg. Chem.; (United States)
Additional Journal Information:
Journal Volume: 27:10
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CARBON COMPOUNDS; CHEMICAL BONDS; CRYSTAL STRUCTURE; ELECTRIC CONDUCTIVITY; MAGNETIC SUSCEPTIBILITY; SYNTHESIS; IODINE COMPOUNDS; YTTRIUM COMPOUNDS; EXPERIMENTAL DATA; DATA; ELECTRICAL PROPERTIES; HALOGEN COMPOUNDS; INFORMATION; MAGNETIC PROPERTIES; NUMERICAL DATA; PHYSICAL PROPERTIES; TRANSITION ELEMENT COMPOUNDS; 360201* - Ceramics, Cermets, & Refractories- Preparation & Fabrication; 360202 - Ceramics, Cermets, & Refractories- Structure & Phase Studies; 360204 - Ceramics, Cermets, & Refractories- Physical Properties

Citation Formats

Kauzlarich, S M, Hughbanks, T, Corbett, J D, Klavins, P, and Shelton, R N. Two extended metal chain compounds, Y/sub 4/I/sub 5/C and Y/sub 6/I/sub 7/C/sub 2/. Synthesis, structure, properties, and bonding. United States: N. p., 1988. Web. doi:10.1021/ic00283a024.
Kauzlarich, S M, Hughbanks, T, Corbett, J D, Klavins, P, & Shelton, R N. Two extended metal chain compounds, Y/sub 4/I/sub 5/C and Y/sub 6/I/sub 7/C/sub 2/. Synthesis, structure, properties, and bonding. United States. https://doi.org/10.1021/ic00283a024
Kauzlarich, S M, Hughbanks, T, Corbett, J D, Klavins, P, and Shelton, R N. 1988. "Two extended metal chain compounds, Y/sub 4/I/sub 5/C and Y/sub 6/I/sub 7/C/sub 2/. Synthesis, structure, properties, and bonding". United States. https://doi.org/10.1021/ic00283a024.
@article{osti_5828463,
title = {Two extended metal chain compounds, Y/sub 4/I/sub 5/C and Y/sub 6/I/sub 7/C/sub 2/. Synthesis, structure, properties, and bonding},
author = {Kauzlarich, S M and Hughbanks, T and Corbett, J D and Klavins, P and Shelton, R N},
abstractNote = {The title phases are obtained in high yield from the reactions of stoichiometric quantities of Y, YI/sub 3/, and graphite at 850-950/degree/C in welded Nb containers. The crystal structures of the two phases determined by standard x-ray diffraction means are related to those published for Er/sub 4/I/sub 5/ and Er/sub 6/I/sub 7/ (C2/m, Z = 2, /alpha/ = 18.479 (6) and 21.557 (8) /angstrom/, b = 3.947 (1) and 3.909 (1) /angstrom/, c = 8.472 (3) and 12.374 (6) /angstrom/, /beta/ = 103.22 (4) and 123.55 (3)/degree/, R/R/sub w/ = 4.6/5.4 and 3.2/3.7% for Y/sub 4/I/sub 5/C and Y/sub 6/I/sub 7/C/sub 2/, respectively). The two compounds contain infinite single and double chains of carbon-centered yttrium octahedra, respectively, condensed by edge-sharing and sheathed by edge-bridging iodine atoms together with square-planar iodine atoms that bridge between chains. Extended Hueckel MO band calculations were carried out for the empty and the carbon-centered compounds in both structures. Metal-based bands near E/sub F/ in the empty chains exhibit characteristic strong interactions with carbon valence orbitals that generate low-lying valence bands. E/sub F/ in both cases falls within a broad, metal-based conduction band. Resistivity and magnetic susceptibility measurements on Y/sub 6/I/sub 7/C/sub 2/ support the predicted metallic character. 26 refs., 11 figs., 3 tabs.},
doi = {10.1021/ic00283a024},
url = {https://www.osti.gov/biblio/5828463}, journal = {Inorg. Chem.; (United States)},
number = ,
volume = 27:10,
place = {United States},
year = {Wed May 18 00:00:00 EDT 1988},
month = {Wed May 18 00:00:00 EDT 1988}
}