Abstract
Temperature factors and thermodynamic properties of crystals can be related easily and practically by use of the quasi-harmonic description of lattice vibrations. The explicit introduction of particular forms of frequency distributions or force-constant models is not required. For cubic crystals containing one type of atom, temperature factors can usually be obtained more accurately from thermodynamic data than from scattering measurements. For more complicated structures containing different kinds of atoms, the thermodynamic data are related to a linear combination of temperature factors.
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