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For the first time the structural, elastic and bonding properties of 15 elpasolite crystals Cs2NaLnCl6 (Ln denotes all lanthanides from La to Lu) were calculated systematically using the CRYSTAL09 program. Several trends in the variation of these properties in relation to the atomic number Z of the Ln ions were found; in particular, the lattice parameter of these compounds decreases with Z (which...
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