Funct. Mater. 2025; 32 (4): 544-552.
Isomorphous substitution of strontium by sodium and rare-earth elements in molybdates with the scheelite-type structure Sr1-x(Na0.5Ln0.5)xMoO4, where Ln = La–Lu
Vasyl′ Stus Donetsk National University, Vinnytsia, Ukraine
Using the crystal energy theory of isomorphous miscibility, the mixing energies, critical decomposition temperatures, and substitution limits were calculated, and the thermodynamic stability ranges of solid solutions Sr1-x(Na0.5Ln0.5)xMoO4 (where Ln represents rare-earth elements, REEs) were determined. It was shown that both the mixing energies and the critical decomposition temperatures increase systematically with the REE atomic number. A thermodynamic stability diagram and dependencies of solubility limits of the solid solutions were built for concentrations ranging from x = 0 to x = 1.0 with a step of Δx = 0.05. These diagrams allow one to determine the limits of equilibrium substitution at a given decomposition temperature, decomposition temperatures for a specified substitution limit, or the thermodynamically stable composition regions. The results may be helpful for immobilizing radioactive isotopes of REEs, actinides, and strontium-90 in nuclear waste disposal and developing new inorganic materials for phosphors and lasers.
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