Synthesis, crystal structure, and electrical and magnetic properties of BaMo6Te6: A novel reduced molybdenum telluride containing infinite chains of trans-face shared Mo6 octahedra
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چکیده
Powder samples and single crystals of the new ternary compound BaMo6Te6 were obtained by solid state reaction. The structure was determined by single-crystal X-ray diffraction. BaMo6Te6 crystallizes in the hexagonal space group P63/m (No. 176) with unitcell parameters a = 9.3941 (2) Å, c = 4.5848 (1) Å and Z = 1. Full-matrix least-squares refinement on F using 452 independent reflections for 17 refinable parameters resulted in R1 = 0.0208 and wR2 = 0.0539. The structure consists of one-dimensional infinite chains of transface shared Mo6 octahedra capped by Se atoms. These chains that are running along the c axis are separated from each other by nine-coordinate Ba atoms. Resistivity measurements on a single crystal indicated that the BaMo6Te6 compound is metallic down to 160 K and semiconductor below. Magnetic susceptibility measurements showed that BaMo6Te6 is weakly diamagnetic with no anomaly at the metal-semiconductor transition.
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