Materials Data on VBO4 by Materials Project
VBO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four BO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.72–1.78 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four BO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.73–1.75 Å. In the third V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four BO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.72–1.77 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four VO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.48 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four VO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.49 Å. In the third B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four VO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.50 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one B3+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one B3+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one B3+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one B3+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one B3+ atom. In the ninth O2- site, O2- is bonded in a linear geometry to one V5+ and one B3+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one B3+ atom. In the eleventh O2- site, O2- is bonded in a linear geometry to one V5+ and one B3+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one B3+ atom.