Abstract
A statistical model is developed that describes the composition dependence of the thermodynamic activities in phases with the NiAs-(B8-) structure. The model is based on vacancies in the transition metal sublattice (octahedral sites) and additional transition metal atoms in interstitial positions (trigonal-bipyramidal sites) as intrinsic disorder. It can be applied to both types of defect mechanisms, i.e., NiAs-type (where vacancies are assumed to be distributed statistically over all transition metal sites) and Cdl2-type (where the vacancies are restricted to alternate layers of the transition metal sublattice); any kind of intermediate behavior with different vacancy concentrations on alternate transition metal layers can also be described. The model is applied to the two phases Co1.l±XSb and Nil±XSb for which antimony activities were determined by an isopiestic vapor pressure method.
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Ipser, H., Krachler, R., Hanninger, G., Komarek, K.L. (1990). Thermodynamic Properties of NiAs-Type Co1 ±Sb and Ni1±XSb. In: Hastie, J.W. (eds) Materials Chemistry at High Temperatures. Materials Chemistry at High Temperatures, vol 1. Humana Press, Totowa, NJ. https://doi.org/10.1007/978-1-4612-0481-7_25
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DOI: https://doi.org/10.1007/978-1-4612-0481-7_25
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