title: An alternative empirical model for the relationship between the bond valence and the thermal expansion rate of chemical bonds.
abstract: The relationship between the bond valence s and the thermal expansion rate of chemical bonds (dr/dT) has been closely approximated by using the alternative three-parameter empirical model (dr/dT) = (u + vs)(-1/w), where u, v and w are the refinable parameters. Unlike the s-(dr/dT) model developed by Brown et al. [(1997), Acta Cryst. B53, 750-761], this alternative model can be optimized for particular s-(dr/dT) datasets in the least-squares refinement procedure. For routine calculations of the thermal expansion rates of chemical bonds, the alternative model with the parameters u = -63.9, v = 2581.0 and w = 0.647 can be recommended.
authors.affiliation: Department of Chemistry and Research Institute for Physics and Chemistry of Solids, Uzhgorod National University, Pidgirna Street 46, Uzhgorod 88000, Ukraine.
authors.forename: Vasyl
authors.initials: V
authors.lastname: Sidey
keywords: bond valence model; thermal expansion