Structure and chemical bonding in K14Cd9Tl21, a compound containing both isolated Tl11/7- clusters and (∞)/2([Cd9Tl10/7-] metallic layers

Monique Tillard-Charbonnel; Abdelkrim Chahine; Claude Belin; Roger Rousseau; Enric Canadell

doi:10.1002/chem.19970030520

Structure and chemical bonding in K₁₄Cd₉Tl₂₁, a compound containing both isolated Tl₁₁/^7- clusters and (∞)/²([Cd₉Tl₁₀/^7-] metallic layers

Monique Tillard-Charbonnel, Abdelkrim Chahine, Claude Belin, Roger Rousseau, Enric Canadell

Pacific Northwest National Laboratory

Research output: Contribution to journal › Article › peer-review

6 Citations (Scopus)

Abstract

The compound K₁₄Cd₉Tl₂₁ 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, P62m; a = 9.884(3),c= 17.173(5) Å; Z= 2) was refined to reliability factors of R1 = 5.09, wR2 = 11.64%. The anionic substructure contains both isolated clusters of Tl₁₁/^7- and a layered network based on Cd₅Tl₂ pentagonal bipyramids. The structure electron count relationship for the Tl₁₁/^7- cluster was analyzed in detail. The Cd₉Tl₁₀/^7- layers are found to confer metallic properties to the material, and the bonding within such layers is found to be highly delocalized.

Original language	English
Pages (from-to)	799-806
Number of pages	8
Journal	Chemistry - A European Journal
Volume	3
Issue number	5
DOIs	https://doi.org/10.1002/chem.19970030520
Publication status	Published - May 1997

Keywords

Zintl phases
cadmium
clusters
layered compounds
semiempirical calculations
thallium

ASJC Scopus subject areas

Catalysis
Organic Chemistry

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10.1002/chem.19970030520

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Structure and chemical bonding in K₁₄Cd₉Tl₂₁, a compound containing both isolated Tl₁₁/^7- clusters and (∞)/²([Cd₉Tl₁₀/^7-] metallic layers. / Tillard-Charbonnel, Monique; Chahine, Abdelkrim; Belin, Claude; Rousseau, Roger; Canadell, Enric.

In: Chemistry - A European Journal, Vol. 3, No. 5, 05.1997, p. 799-806.

Research output: Contribution to journal › Article › peer-review

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abstract = "The compound K14Cd9Tl21 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, P62m; a = 9.884(3),c= 17.173(5) {\AA}; Z= 2) was refined to reliability factors of R1 = 5.09, wR2 = 11.64%. The anionic substructure contains both isolated clusters of Tl11/7- and a layered network based on Cd5Tl2 pentagonal bipyramids. The structure electron count relationship for the Tl11/7- cluster was analyzed in detail. The Cd9Tl10/7- layers are found to confer metallic properties to the material, and the bonding within such layers is found to be highly delocalized.",

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AU - Rousseau, Roger

AU - Canadell, Enric

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