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Structure and Chemical Bonding in K 14 Cd 9 Tl 21 , a Compound Containing Both Isolated Tl 7‐ 11 Clusters and 2 [Cd 9 Tl 7‐ 10 ] Metallic Layers
Author(s) -
TillardCharbonnel Monique,
Chahine Abdelkrim,
Belin Claude,
Rousseau Roger,
Canadell Enric,
Rousseau R.
Publication year - 1997
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.19970030520
Subject(s) - tantalum , crystallography , crystal structure , substructure , delocalized electron , cluster (spacecraft) , hexagonal crystal system , metal , electron counting , materials science , crystal (programming language) , chemical bond , chemistry , electron , physics , programming language , structural engineering , organic chemistry , computer science , engineering , metallurgy , quantum mechanics
The compound K 14 Cd 9 Tl 21 has been prepared by fusion of the elements in a tantalum reactor followed by slow cooling at the rate of 6° per hour to enable crystal growth. The X‐ray crystal structure (hexagonal, P 2 m ; a = 9.884(3), c =17.173(5) Å; Z = 2) was refined to reliability factors of R 1 = 5.09, wR 2 = 11.64%. The anionic substructure contains both isolated clusters of Tl 7‐ 11 and a layered network based on Cd 5 Tl 2 pentagonal bipyramids. The structure‐electron count relationship for the Tl 7‐ 11 cluster was analyzed in detail. The Cd 9 Tl 7‐ 10 layers are found to confer metallic properties to the material, and the bonding within such layers is found to be highly delocalized.