LiZnAsO4 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(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, and corners with two equivalent As(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, and corners with two equivalent As(2)O4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(5), one O(7), 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 As(1)O4 tetrahedra, and corners with two equivalent As(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), one O(4), and one O(6) 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 As(1)O4 tetrahedra, and corners with two equivalent As(2)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form AsO4 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 As site, As(2) is bonded to one O(2), one O(3), one O(7), and one O(8) atom to form AsO4 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 eight inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Zn(1), and one As(1) atom. In the second O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Zn(2), and one As(1) atom. In the third O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Zn(1), and one As(2) atom. In the fourth O site, O(8) is bonded in a trigonal planar geometry to one Li(2), one Zn(1), and one As(2) atom. In the fifth O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Zn(1), and one As(1) atom. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Zn(2), and one As(2) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one Zn(2), and one As(2) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Zn(2), and one As(1) atom.
LiZnAsO4 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(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, and corners with two equivalent As(2)O4 tetrahedra. The Li(1)-O(1) bond length is 1.97 Å. The Li(1)-O(2) bond length is 1.98 Å. The Li(1)-O(6) bond length is 1.97 Å. The Li(1)-O(7) bond length is 1.96 Å. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, and corners with two equivalent As(2)O4 tetrahedra. The Li(2)-O(3) bond length is 1.96 Å. The Li(2)-O(4) bond length is 1.97 Å. The Li(2)-O(5) bond length is 2.00 Å. The Li(2)-O(8) bond length is 2.02 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(5), one O(7), 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 As(1)O4 tetrahedra, and corners with two equivalent As(2)O4 tetrahedra. The Zn(1)-O(1) bond length is 1.97 Å. The Zn(1)-O(5) bond length is 2.00 Å. The Zn(1)-O(7) bond length is 1.99 Å. The Zn(1)-O(8) bond length is 2.00 Å. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), one O(4), and one O(6) 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 As(1)O4 tetrahedra, and corners with two equivalent As(2)O4 tetrahedra. The Zn(2)-O(2) bond length is 1.99 Å. The Zn(2)-O(3) bond length is 1.97 Å. The Zn(2)-O(4) bond length is 1.98 Å. The Zn(2)-O(6) bond length is 1.98 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form AsO4 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 As(1)-O(1) bond length is 1.72 Å. The As(1)-O(4) bond length is 1.72 Å. The As(1)-O(5) bond length is 1.72 Å. The As(1)-O(6) bond length is 1.73 Å. In the second As site, As(2) is bonded to one O(2), one O(3), one O(7), and one O(8) atom to form AsO4 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 As(2)-O(2) bond length is 1.72 Å. The As(2)-O(3) bond length is 1.73 Å. The As(2)-O(7) bond length is 1.72 Å. The As(2)-O(8) bond length is 1.73 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Zn(1), and one As(1) atom. In the second O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Zn(2), and one As(1) atom. In the third O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Zn(1), and one As(2) atom. In the fourth O site, O(8) is bonded in a trigonal planar geometry to one Li(2), one Zn(1), and one As(2) atom. In the fifth O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Zn(1), and one As(1) atom. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Zn(2), and one As(2) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one Zn(2), and one As(2) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Zn(2), and one As(1) atom.