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Updated: Apr 1, 2026
Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Crystallographic, Electronic, and Magnetic Properties of Rock Salt Superstructure Sulfide Lu2CrS4 with Jahn-Teller
Keitaro Tezuka1, Makoto Wakeshima2, Masataka Nozawa1
1Research Division of Functional Materials Design, Graduate School of Engineering, Utsunomiya University , Utsunomiya 321-8585, Japan.
Abstract:
A new chromium(II) sulfide, Lu2CrS4, with a novel structure was prepared by a solid-state reaction. The powder X-ray diffraction pattern could be indexed as a tetragonal system, with a = 7.46373(2) Å, c = 22.6338(2) Å, and space group I4̅2d (No. 122). Rietveld analysis of the pattern provided the crystal structure consisting of CrS6 and LuS6 octahedra sharing edges and apexes and revealed a rock salt superstructure with new cation (vacancy) arrangements. The electrical resistivity indicates semiconducting behavior. The magnetic susceptibility and specific heat measurements showed that the Cr ions are in the high-spin d(4) configuration and that their magnetic moments ordered antiferromagnetically at 55 K. The basic antiferromagnetic structure was determined using powder neutron diffraction data at 10 K. The band structure calculations demonstrate that the densities of states of Cr 3d electrons split into two spin-up eg bands because of Jahn-Teller distortion.
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