THE ELECTRONIC-STRUCTURE OF BA7GA4SB9, A COMPOUND SEEMINGLY PROBING THE LIMITS OF THE ZINTL CONCEPT

被引:24
作者
ALEMANY, P [1 ]
ALVAREZ, S [1 ]
HOFFMANN, R [1 ]
机构
[1] CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
关键词
D O I
10.1021/ic00342a004
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
In Ba7Ga4Sb9, a recently synthesized compound, there is a Ga4Sb,14- two-dimensional net that probes the limits of the Zintl concept. It is made up of one-dimensional alternating four- and eight-membered Ga-Sb rings, linked together into a two-dimensional structure by long but bonding Sb-Sb contacts. Band calculations reveal quite localized bonding and a half-filled Sb-Sb σ* band. A pairing distortion is indicated and should be sought experimentally. © 1990, American Chemical Society. All rights reserved.
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页码:3070 / 3073
页数:4
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