Materials Data on V4Bi3 by Materials Project
V4Bi3 is Magnesium tetraboride-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent V sites. In the first V site, V is bonded in a 9-coordinate geometry to four V and five Bi atoms. There are a spread of V–V bond distances ranging from 2.39–2.59 Å. There are a spread of V–Bi bond distances ranging from 2.95–3.13 Å. In the second V site, V is bonded in a 6-coordinate geometry to one V and six Bi atoms. The V–V bond length is 2.79 Å. There are a spread of V–Bi bond distances ranging from 2.82–2.90 Å. In the third V site, V is bonded in a 7-coordinate geometry to four V and five Bi atoms. Both V–V bond lengths are 2.91 Å. There are a spread of V–Bi bond distances ranging from 2.86–2.95 Å. In the fourth V site, V is bonded in a 8-coordinate geometry to two equivalent V and six Bi atoms. There are two shorter (2.76 Å) and four longer (2.90 Å) V–Bi bond lengths. In the fifth V site, V is bonded in a 12-coordinate geometry to eight V and four Bi atoms. There are two shorter (2.76 Å) and two longer (2.88 Å) V–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight V atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six V atoms. In the third Bi site, Bi is bonded in a 7-coordinate geometry to seven V atoms.