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Unit Cell Parameter and Density Calculations for Sm1 – xRxF2 + x, Eu1 – xRxF2 + x, and Yb1 – xRxF2 + x (R Is a Rare-Earth Element) Crystals

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Abstract

Unit cell parameters acal(x) and X-ray densities ρX(x) are calculated in terms of a model that accounts for ionic bonding, additivity of properties, and dimensional factor upon aliovalent substitutions for 45 new nonstoichiometric phases Sm1 − xRxF2 + x, Eu1 − xRxF2 + x and Yb1 − xRxF2 + x (R = La−Lu, Y) based on SmF2, EuF2, and YbF2 fluorite matrices (the fluorite CaF2 type). A comparison of the calculated unit cell parameters acal(x) and the experimental a(x) values available in the literature for these phases shows satisfactory match. Concentration-dependent relationships acal(x) and ρX(x) can be used for monitoring the composition of melt-grown Sm1 − xRxF2 + x, Eu1 − xRxF2 + x, and Yb1 − xRxF2 + x crystals in studies of their defect structures and fundamental properties.

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Funding

This work was supported by the Ministry of Science and Higher Education as part of work under an order of the Government to the Crystallography and Photonics Federal Scientific Research Center of the Russian Academy of Sciences.

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  1. Shubnikov Institute of Crystallography, Crystallography and Photonics Federal Scientific Research Center, Russian Academy of Sciences, 119333, Moscow, Russia

    N. I. Sorokin

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Correspondence to N. I. Sorokin.

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Translated by O. Fedorova

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Sorokin, N.I. Unit Cell Parameter and Density Calculations for Sm1 – xRxF2 + x, Eu1 – xRxF2 + x, and Yb1 – xRxF2 + x (R Is a Rare-Earth Element) Crystals. Russ. J. Inorg. Chem. 66, 989–995 (2021). https://doi.org/10.1134/S0036023621070135

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