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Title: K{sub 4}Au(TlSn{sub 3}): A novel Zintl phase with an anionic chain

Abstract

Reactions of the component elements at 1,050 C and then 400 C in Ta containers generate the black title phase in good yield. Single-crystal X-ray characterization revealed a novel infinite chain structure in which {approximately}D{sub 2d} {sup 1}{sub {infinity}}[(TlSn{sub 3})Au]{sup 4{minus}} units are made from tetrahedra of disordered Tl + 3Sn that are bridged at opposite edges by four-bonded Au atoms, and vice versa. The chains have the electron count of a classical Zintl phase in which all elements are four-bonded. The MOs of the chain fragment and the band structure of the chains are described. A relatively large gap appears to arise because of the similar energies of Au 6s and the TlSn{sub 3}{sup 4{minus}} units.

Authors:
;  [1]
  1. Ames Lab., IA (United States)|[Iowa State Univ., Ames, IA (United States). Dept. of Chemistry
Publication Date:
Sponsoring Org.:
USDOE, Washington, DC (United States)
OSTI Identifier:
669927
DOE Contract Number:
W-7405-ENG-82
Resource Type:
Journal Article
Resource Relation:
Journal Name: Inorganic Chemistry; Journal Volume: 37; Journal Issue: 19; Other Information: PBD: 21 Sep 1998
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; POTASSIUM COMPOUNDS; GOLD COMPOUNDS; THALLIUM COMPOUNDS; TIN COMPOUNDS; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE

Citation Formats

Huang, D., and Corbett, J.D. K{sub 4}Au(TlSn{sub 3}): A novel Zintl phase with an anionic chain. United States: N. p., 1998. Web. doi:10.1021/ic980579q.
Huang, D., & Corbett, J.D. K{sub 4}Au(TlSn{sub 3}): A novel Zintl phase with an anionic chain. United States. doi:10.1021/ic980579q.
Huang, D., and Corbett, J.D. Mon . "K{sub 4}Au(TlSn{sub 3}): A novel Zintl phase with an anionic chain". United States. doi:10.1021/ic980579q.
@article{osti_669927,
title = {K{sub 4}Au(TlSn{sub 3}): A novel Zintl phase with an anionic chain},
author = {Huang, D. and Corbett, J.D.},
abstractNote = {Reactions of the component elements at 1,050 C and then 400 C in Ta containers generate the black title phase in good yield. Single-crystal X-ray characterization revealed a novel infinite chain structure in which {approximately}D{sub 2d} {sup 1}{sub {infinity}}[(TlSn{sub 3})Au]{sup 4{minus}} units are made from tetrahedra of disordered Tl + 3Sn that are bridged at opposite edges by four-bonded Au atoms, and vice versa. The chains have the electron count of a classical Zintl phase in which all elements are four-bonded. The MOs of the chain fragment and the band structure of the chains are described. A relatively large gap appears to arise because of the similar energies of Au 6s and the TlSn{sub 3}{sup 4{minus}} units.},
doi = {10.1021/ic980579q},
journal = {Inorganic Chemistry},
number = 19,
volume = 37,
place = {United States},
year = {Mon Sep 21 00:00:00 EDT 1998},
month = {Mon Sep 21 00:00:00 EDT 1998}
}