Materials Data on B2Mo3 by Materials Project
Mo3B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Mo–B bond lengths are 2.45 Å. In the second Mo2+ site, Mo2+ is bonded in a distorted hexagonal planar geometry to six equivalent B3- atoms. There are four shorter (2.36 Å) and two longer (2.43 Å) Mo–B bond lengths. B3- is bonded in a 9-coordinate geometry to eight Mo2+ and one B3- atom. The B–B bond length is 1.92 Å.
36 MATERIALS SCIENCE↗