V10BSi6 crystallizes in the trigonal P-31m space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one B(1) and five equivalent Si(1) atoms. In the second V site, V(2) is bonded in a 8-coordinate geometry to two equivalent V(3) and six equivalent Si(1) atoms. In the third V site, V(3) is bonded in a 8-coordinate geometry to two equivalent V(2) and six equivalent Si(1) atoms. B(1) is bonded in an octahedral geometry to six equivalent V(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent V(2), two equivalent V(3), and five equivalent V(1) atoms.
V10BSi6 crystallizes in the trigonal P-31m space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one B(1) and five equivalent Si(1) atoms. The V(1)-B(1) bond length is 2.12 Å. There are a spread of V(1)-Si(1) bond distances ranging from 2.47-2.68 Å. In the second V site, V(2) is bonded in a 8-coordinate geometry to two equivalent V(3) and six equivalent Si(1) atoms. Both V(2)-V(3) bond lengths are 2.41 Å. All V(2)-Si(1) bond lengths are 2.50 Å. In the third V site, V(3) is bonded in a 8-coordinate geometry to two equivalent V(2) and six equivalent Si(1) atoms. All V(3)-Si(1) bond lengths are 2.48 Å. B(1) is bonded in an octahedral geometry to six equivalent V(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent V(2), two equivalent V(3), and five equivalent V(1) atoms.