Abstract
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 unit-cell parameters a=9.3941(2)Å, c=4.5848(1)Å and Z=1. Full-matrix least-squares refinement on F2 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 trans-face 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 160K and semiconductor below. Magnetic susceptibility measurements showed that BaMo6Te6 is weakly diamagnetic with no anomaly at the metal–semiconductor transition.
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