Materials Data on NbB4Mo3 by Materials Project
NbMo3B4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Nb5+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Nb–B bond distances ranging from 2.37–2.53 Å. There are two inequivalent Mo+2.33+ sites. In the first Mo+2.33+ site, Mo+2.33+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mo–B bond distances ranging from 2.34–2.54 Å. In the second Mo+2.33+ site, Mo+2.33+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mo–B bond distances ranging from 2.33–2.56 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Nb5+, four equivalent Mo+2.33+, and two equivalent B3- atoms. Both B–B bond lengths are 1.87 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to seven Mo+2.33+ and two equivalent B3- atoms. Both B–B bond lengths are 1.84 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Nb5+, five Mo+2.33+, and two B3- atoms.