Issue 33, 2010

Ionic radii for Group 1 and Group 2 halide, hydride, fluoride, oxide, sulfide, selenide and telluride crystals

Abstract

This paper discusses the calculation of internuclear distances by a soft-sphere ionic radii model for twenty crystalline Group 1 halides and hydrides and three ammonium halides with either sodium chloride or caesium chloride structures. It also describes calculation of internuclear distances with the soft-sphere model for three crystalline Group 2 fluorides with fluorite structures and fifteen Group 2 crystalline binary salts (oxides, sulfides, selenides and tellurides) with sodium chloride structures. Soft-sphere calculated radii for Group 1 salts are compared with other theoretical radii. Soft-sphere calculated results agree very well with experimental measurements in all cases except for lithium hydride. The probable reasons for the discrepancy with lithium hydride and merits of the soft sphere model are discussed. A simple expression to calculate lattice energies using the soft-sphere radii concept is given and results compared well with lattice energies calculated by the Born–Haber cycle.

Graphical abstract: Ionic radii for Group 1 and Group 2 halide, hydride, fluoride, oxide, sulfide, selenide and telluride crystals

Article information

Article type
Paper
Submitted
30 Apr 2010
Accepted
07 Jun 2010
First published
21 Jul 2010

Dalton Trans., 2010,39, 7786-7791

Ionic radii for Group 1 and Group 2 halide, hydride, fluoride, oxide, sulfide, selenide and telluride crystals

P. F. Lang and B. C. Smith, Dalton Trans., 2010, 39, 7786 DOI: 10.1039/C0DT00401D

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