Crystal structure of dihafnium sulfide*

Abstract

The crystal structure of Hf₂S has been determined from two-dimensional single-crystal data. Each S atom is surrounded by six Hf atoms in trigonal prismatic coordination, while each Hf is surrounded by a distorted octahedron of three S and three Hf. The structure is related to the anti-NbS₂ type. Hf₂S has two formula units in a unit cell of space group P6₃/mmc or P6₃mc with unit-cell dimensions a = 3.37 Å and c = 11.79 Å.