ThVB4 crystallizes in the orthorhombic Cmmm space group. Th(1) is bonded in a 14-coordinate geometry to two equivalent B(3), four equivalent B(2), and eight equivalent B(1) atoms. V(1) is bonded in a 10-coordinate geometry to two equivalent B(2), four equivalent B(1), and four equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Th(1), two equivalent V(1), one B(1), one B(2), and one B(3) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Th(1), two equivalent V(1), one B(2), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Th(1), four equivalent V(1), one B(3), and two equivalent B(1) atoms.
ThVB4 crystallizes in the orthorhombic Cmmm space group. Th(1) is bonded in a 14-coordinate geometry to two equivalent B(3), four equivalent B(2), and eight equivalent B(1) atoms. Both Th(1)-B(3) bond lengths are 2.74 Å. All Th(1)-B(2) bond lengths are 2.83 Å. There are four shorter (2.81 Å) and four longer (2.84 Å) Th(1)-B(1) bond lengths. V(1) is bonded in a 10-coordinate geometry to two equivalent B(2), four equivalent B(1), and four equivalent B(3) atoms. Both V(1)-B(2) bond lengths are 2.39 Å. All V(1)-B(1) bond lengths are 2.40 Å. All V(1)-B(3) bond lengths are 2.36 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Th(1), two equivalent V(1), one B(1), one B(2), and one B(3) atom. The B(1)-B(1) bond length is 1.89 Å. The B(1)-B(2) bond length is 1.84 Å. The B(1)-B(3) bond length is 1.76 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Th(1), two equivalent V(1), one B(2), and two equivalent B(1) atoms. The B(2)-B(2) bond length is 1.99 Å. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Th(1), four equivalent V(1), one B(3), and two equivalent B(1) atoms. The B(3)-B(3) bond length is 1.72 Å.