FeV3O8 is quartz (alpha)-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent V(3)O4 tetrahedra and corners with two equivalent Fe(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent V(3)O4 tetrahedra and corners with two equivalent Fe(1)O4 tetrahedra. In the third V site, V(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing VO4 tetrahedra. Fe(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(2) and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one V(2) and one Fe(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(1) atom.
FeV3O8 is quartz (alpha)-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent V(3)O4 tetrahedra and corners with two equivalent Fe(1)O4 tetrahedra. The V(1)-O(1) bond length is 1.74 Å. The V(1)-O(3) bond length is 1.74 Å. The V(1)-O(7) bond length is 1.74 Å. The V(1)-O(8) bond length is 1.74 Å. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent V(3)O4 tetrahedra and corners with two equivalent Fe(1)O4 tetrahedra. The V(2)-O(2) bond length is 1.75 Å. The V(2)-O(4) bond length is 1.74 Å. The V(2)-O(5) bond length is 1.74 Å. The V(2)-O(6) bond length is 1.75 Å. In the third V site, V(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing VO4 tetrahedra. The V(3)-O(3) bond length is 1.90 Å. The V(3)-O(4) bond length is 1.90 Å. The V(3)-O(5) bond length is 1.91 Å. The V(3)-O(7) bond length is 1.90 Å. Fe(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. The Fe(1)-O(1) bond length is 1.88 Å. The Fe(1)-O(2) bond length is 1.88 Å. The Fe(1)-O(6) bond length is 1.88 Å. The Fe(1)-O(8) bond length is 1.88 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(2) and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one V(2) and one Fe(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(1) atom.