Materials Data on B4Os by Materials Project

Abstract

OsB4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Os6+ sites. In the first Os6+ site, Os6+ is bonded in a 12-coordinate geometry to fourteen B+1.50- atoms. There are two shorter (2.36 Å) and twelve longer (2.40 Å) Os–B bond lengths. In the second Os6+ site, Os6+ is bonded to twelve equivalent B+1.50- atoms to form face-sharing OsB12 cuboctahedra. All Os–B bond lengths are 2.41 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four Os6+ and five B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.77–1.93 Å. In the second B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to one Os6+ and seven B+1.50- atoms. The B–B bond length is 1.73 Å.