Literature DB >> 20664858

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

Peter F Lang1, Barry C Smith.   

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.

Entities:  

Year:  2010        PMID: 20664858     DOI: 10.1039/c0dt00401d

Source DB:  PubMed          Journal:  Dalton Trans        ISSN: 1477-9226            Impact factor:   4.390


  5 in total

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Journal:  J Comput Aided Mol Des       Date:  2016-07-26       Impact factor: 3.686

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Journal:  J Biol Chem       Date:  2016-03-18       Impact factor: 5.157

3.  Influence of the Contact Geometry and Counterions on the Current Flow and Charge Transfer in Polyoxometalate Molecular Junctions: A Density Functional Theory Study.

Authors:  Paul Lapham; Laia Vilà-Nadal; Leroy Cronin; Vihar P Georgiev
Journal:  J Phys Chem C Nanomater Interfaces       Date:  2021-02-04       Impact factor: 4.126

4.  Interlayer Design of Pillared Graphite by Na-Halide Cluster Intercalation for Anode Materials of Sodium-Ion Batteries.

Authors:  Taesoon Hwang; Maenghyo Cho; Kyeongjae Cho
Journal:  ACS Omega       Date:  2021-03-31

5.  Applying the soft sphere model to improve the understanding of bonding in transition metals.

Authors:  Peter F Lang
Journal:  Heliyon       Date:  2019-12-30
  5 in total

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