Materials Data on ThVB4 by Materials Project
ThVB4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Th–B bond distances ranging from 2.75–2.85 Å. V2+ is bonded in a 11-coordinate geometry to one V2+ and ten B+1.50- atoms. The V–V bond length is 2.42 Å. There are a spread of V–B bond distances ranging from 2.36–2.40 Å. There are three inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Th4+, two equivalent V2+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.77–1.89 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Th4+, two equivalent V2+, and three B+1.50- atoms. The B–B bond length is 1.98 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Th4+, four equivalent V2+, and three B+1.50- atoms. The B–B bond length is 1.72 Å.