Materials Data on B24Mo7 by Materials Project
Mo7B24 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are five inequivalent Mo+2.57+ sites. In the first Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.26 Å. In the second Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.34 Å. In the third Mo+2.57+ site, Mo+2.57+ is bonded to twelve B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. There are six shorter (2.33 Å) and six longer (2.34 Å) Mo–B bond lengths. In the fourth Mo+2.57+ site, Mo+2.57+ is bonded to twelve equivalent B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.35 Å. In the fifth Mo+2.57+ site, Mo+2.57+ is bonded to twelve B+0.75- atoms to form a mixture of face and edge-sharing MoB12 cuboctahedra. There are six shorter (2.33 Å) and six longer (2.36 Å) Mo–B bond lengths. There are two inequivalent B+0.75- sites. In the first B+0.75- site, B+0.75- is bonded in a 6-coordinate geometry to three Mo+2.57+ and three equivalent B+0.75- atoms. There is two shorter (1.74 Å) and one longer (1.76 Å) B–B bond length. In the second B+0.75- site, B+0.75- is bonded in a 3-coordinate geometry to four Mo+2.57+ and three equivalent B+0.75- atoms. There are a spread of B–B bond distances ranging from 1.72–1.76 Å.