Structure and chemical bonding in K14Cd9Tl21, a compound containing both isolated Tl-11(7-) clusters and (2)(infinity)[Cd9Tl10(7-)] metallic layers

被引:8
作者
TillardCharbonnel, M [1 ]
Chahine, A [1 ]
Belin, C [1 ]
Rousseau, R [1 ]
Canadell, E [1 ]
机构
[1] CSIC,INST CIENCIA MAT,BELLATERRA,SPAIN
关键词
cadmium; clusters; layered compounds; semiempirical calculations; thallium; Zintl phases;
D O I
10.1002/chem.19970030520
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The compound K14Cd9T21, has been prepared by fusion of the elements in a tantalum reactor followed by slow cooling at the rate of 6 degrees per hour to enable crystal growth. The X-ray crystal structure (hexagonal, P (6) over bar 2m; a = 9.584(3), c = 17.173(5)Angstrom; Z = 2) was refined to reliability factors of R1 = 5.09, wR2 = 11.64%. The anionic substructure contains both isolated clusters of Tl-11(7-) and a layered network based on Cd5Tl2 pentagonal bipyramids. The structure - electron count relationship for the Tl-11(7-) cluster was analyzed in detail. The Cd9Tl107- layers are found to confer metallic properties to the material, and the bonding within such layers is found to be highly delocalized.
引用
收藏
页码:799 / 806
页数:8
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