Materials Data on HfSiOs by Materials Project

Abstract

HfOsSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Os and five Si atoms. There are two shorter (2.92 Å) and four longer (3.04 Å) Hf–Os bond lengths. There are four shorter (2.73 Å) and one longer (2.75 Å) Hf–Si bond lengths. Os is bonded in a 12-coordinate geometry to six equivalent Hf and four Si atoms. There are two shorter (2.48 Å) and two longer (2.55 Å) Os–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Os atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Os atoms.