The crystal structure of parkerite, Ni
3Bi
2S
2, was studied by single-crystal X-ray diffraction analysis and refined. The single crystal was prepared by the method of chemical transport reactions. The electronic structure of Ni
3Bi
2S
2 was calculated by the extended Hückel and DFT--LMTO--ASA methods. Substantial delocalization of electrons in the vicinity of the Fermi level and the presence of the strong Ni--S and Ni--Bi bonds were revealed. The Ni--Ni bonds are weak, which is in agreement with the X-ray diffraction data.
nickel - bismuth - sulfides - heterometallic bonds - crystal structure - electronic structure - quantum-chemical calculations