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E. I. GET’MAN and S. V. RADIO

Vasyl’ Stus Donetsk National University, 21, 600-Richchia Str., UA-21027 Vinnytsia, Ukraine

Isomorphous Substitutions of Calcium with Rare-Earth Elements and Lithium in Scheelite-Structured Molybdates for Actinoid Simulation

407–422 (2025)

PACS numbers: 64.75.Nx, 65.40.Ba, 65.40.gd, 81.30.Dz, 81.30.Mh, 82.33.Pt, 82.60.Lf

Using V. S. Urusov’s crystal-energy theory of isomorphous miscibility, the mixing energies, critical decomposition temperatures, and limits of isomorphous substitutions are calculated, and the regions of thermodynamic stability of Ca1-x(Li0.5Ln0.5)xMoO4 solid solutions, where Ln are rare-earth elements (REE), are determined. As shown, the critical decomposition temperatures decrease symbately with the mixing energy as the REE number increases in the La–Sm series within the temperature range of 162–16 K, and it increases in the Eu–Lu series within the temperature range of 30–294 K. The thermodynamic stability diagram and the decomposition domes of solid solutions in the concentration range from x = 0 to x = 1.0 through x = 0.05 are presented. These allow for the determination of equilibrium substitution limits by temperature, temperature by a given substitution limit, or ranges of thermodynamic stability of solid solutions. The results may be useful for the storage and disposal of actinoides, radioactive REE isotopes, and molybdenum in the field of ultra-low temperatures.

KEY WORDS: solid solution, mixing energy, molybdates, lanthanides, actinoides, calcium, lithium, scheelite structure, isomorphous substitutions, thermodynamic stability

DOI:  https://doi.org/10.15407/nnn.23.02.0407

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