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Issue 17, 1974
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Crystal structure and lattice energy of thallium(I) fluoride: inert-pair distortions

Abstract

The crystal structure of TlF has been redetermined from X-ray single-crystal (R 0·101; 105 observed reflections) and neutron powder data. Crystals are orthorhombic with a= 5·1848(2), b= 6·0980(3), c= 5·4916(2)Å, Z= 4, space group Pm2a. Two independent thallium ions have similar environments, surrounded by octahedra of fluoride ions, with two close approaches (Tl ⋯ F 2·25–2·62 Å), two intermediate distances, and two (cis) long approaches (Tl ⋯ F 3·07–3·90 Å). The lattice energy is recalculated as –781·9 kJ mol–1, but it is concluded that the presence of an aspherical thallium ion probably means that the model used for the calculation is inadequate.

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Article type: Paper
DOI: 10.1039/DT9740001907
Citation: J. Chem. Soc., Dalton Trans., 1974,0, 1907-1911
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    Crystal structure and lattice energy of thallium(I) fluoride: inert-pair distortions

    N. W. Alcock and H. D. B. Jenkins, J. Chem. Soc., Dalton Trans., 1974, 0, 1907
    DOI: 10.1039/DT9740001907

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