Unique Metallic Wires in a Novel Quasi-1D Compound. Synthesis, Crystal and Electronic Structure, and Properties of Ni₈Bi₈SI

A new quasi-one-dimensional compound Ni8Bi8SI has been synthesized and its crystal structure determined from single-crystal X-ray diffraction data. The structure of Ni8Bi8SI consists of columns separated by iodine atoms. Conductivity and magnetic susceptibility measurements (down to 4.2 K) show that Ni8Bi8SI is a one-dimensional metal and exhibits Pauli paramagnetic properties. These observations are in good agreement with the results from electronic structure calculations. An analysis of the chemical bonding employing difference electron charge density maps reveals strong multicenter Ni−Bi bonds and pair Ni−S interactions within the columns. Only electrostatic interactions are inferred between the columns and iodine atoms.