Materials Data on Si3Os2 by Materials Project

Abstract

Os2Si3 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are three inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 8-coordinate geometry to eight Si+1.33+ atoms. There are four shorter (2.46 Å) and four longer (2.61 Å) Os–Si bond lengths. In the second Os2- site, Os2- is bonded in a 6-coordinate geometry to six Si+1.33+ atoms. There are four shorter (2.33 Å) and two longer (2.65 Å) Os–Si bond lengths. In the third Os2- site, Os2- is bonded in a 6-coordinate geometry to eight Si+1.33+ atoms. There are a spread of Os–Si bond distances ranging from 2.37–2.89 Å. There are two inequivalent Si+1.33+ sites. In the first Si+1.33+ site, Si+1.33+ is bonded in a distorted pentagonal planar geometry to five Os2- atoms. In the second Si+1.33+ site, Si+1.33+ is bonded in a 5-coordinate geometry to five Os2- atoms.