Materials Data on B2Mo2Ir by Materials Project
Mo2IrB2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 7-coordinate geometry to seven B atoms. There are a spread of Mo–B bond distances ranging from 2.34–2.54 Å. In the second Mo site, Mo is bonded in a 4-coordinate geometry to five B atoms. There are a spread of Mo–B bond distances ranging from 2.33–2.65 Å. Ir is bonded in a 3-coordinate geometry to three B atoms. There are two shorter (2.17 Å) and one longer (2.42 Å) Ir–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Mo, two equivalent Ir, and one B atom. The B–B bond length is 1.86 Å. In the second B site, B is bonded in a 9-coordinate geometry to six Mo, one Ir, and two B atoms. The B–B bond length is 1.88 Å.