LiZnVO4 crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form ZnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form ZnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, 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(5) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one Zn(2) atom. In the second O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one V(2), and one Zn(1) atom. In the third O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one Zn(1) atom. In the fourth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one Zn(2) atom. In the fifth O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one Zn(1) atom. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one Zn(1) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one Zn(2) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one V(2), and one Zn(2) atom.
LiZnVO4 crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The Li(1)-O(1) bond length is 2.00 Å. The Li(1)-O(2) bond length is 2.01 Å. The Li(1)-O(5) bond length is 1.98 Å. The Li(1)-O(8) bond length is 1.98 Å. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The Li(2)-O(3) bond length is 2.00 Å. The Li(2)-O(4) bond length is 1.99 Å. The Li(2)-O(6) bond length is 1.97 Å. The Li(2)-O(7) bond length is 1.98 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The V(1)-O(1) bond length is 1.75 Å. The V(1)-O(3) bond length is 1.75 Å. The V(1)-O(5) bond length is 1.75 Å. The V(1)-O(7) bond length is 1.75 Å. In the second V site, V(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The V(2)-O(2) bond length is 1.76 Å. The V(2)-O(4) bond length is 1.75 Å. The V(2)-O(6) bond length is 1.75 Å. The V(2)-O(8) bond length is 1.75 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form ZnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. The Zn(1)-O(1) bond length is 1.98 Å. The Zn(1)-O(2) bond length is 1.98 Å. The Zn(1)-O(6) bond length is 1.98 Å. The Zn(1)-O(7) bond length is 1.97 Å. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form ZnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. The Zn(2)-O(3) bond length is 1.97 Å. The Zn(2)-O(4) bond length is 1.99 Å. The Zn(2)-O(5) bond length is 1.97 Å. The Zn(2)-O(8) bond length is 1.96 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one Zn(2) atom. In the second O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one V(2), and one Zn(1) atom. In the third O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one Zn(1) atom. In the fourth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one Zn(2) atom. In the fifth O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one Zn(1) atom. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one Zn(1) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one Zn(2) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one V(2), and one Zn(2) atom.