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Tambornino, Frank; Schwärzer, Kuno; Hoch, Constantin (2016): Synthesis and characterization of La11+xHg45-x and RE11Hg44.5 (RE = Nd, Sm) as hettotypes of the Sm11Cd45 structure type. In: Journal of Solid State Chemistry, Vol. 242: S. 162-169
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Abstract

The mercury-rich amalgams La11+xHg45-x and RE11Hg44.5, (space group F43m (No. 216), La11+xHg45-x: a = 21.9342(19) angstrom, RE = Nd: a = 21.7384(14) angstrom;RE = Sm: a = 21.6555(4) angstrom), were synthesized by dissolving the respective rare earth metals in a mercury surplus and subsequently distilling off the excess. The compounds were characterized by single crystal and powder X-ray methods together with ab-initio band structure calculations. Both crystal structures deviate significantly and in different ways from their common aristotype, the Sm11Cd44.5 structure type. In La11+xHg45-x (x = 0.7(1)) two crystallographic sites show mixed occupancy, whereas in RE11Hg44.5 one of the Hg positions is fully unoccupied. Their band structures exhibit typical broad Hg d states at low energies, and a strong mixing of s and p states indicates a mercury sublattice with high connectivity. (C) 2016 ELSEVIER. All rights reserved.