Materials Data on B2Mo2Os by Materials Project

Mo2OsB2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded in a 4-coordinate geometry to five B3- atoms. There are four shorter (2.30 Å) and one longer (2.75 Å) Mo–B bond lengths. In the second Mo4+ site, Mo4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mo–B bond distances ranging from 2.32–2.60 Å. Os2- is bonded in a 3-coordinate geometry to three B3- atoms. There are two shorter (2.18 Å) and one longer (2.47 Å) Os–B bond lengths. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six Mo4+, one Os2-, and two B3- atoms. There is one shorter (1.87 Å) and one longer (1.92 Å) B–B bond length. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six Mo4+, two equivalent Os2-, and one B3- atom.