LiZnPO4 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 P(1)O4 tetrahedra, and corners with two equivalent P(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 P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(4), one O(6), 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 P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(3), one O(5), 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 P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form PO4 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 P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form PO4 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 distorted trigonal planar geometry to one Li(2), one Zn(2), and one P(2) atom. In the second O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Zn(1), and one P(1) atom. In the third O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Zn(2), and one P(1) atom. In the fourth O site, O(8) is bonded in a trigonal planar geometry to one Li(2), one Zn(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Zn(2), and one P(2) atom. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Zn(1), and one P(2) atom. In the seventh O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Zn(2), and one P(1) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Zn(1), and one P(1) atom.
LiZnPO4 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 P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Li(1)-O(1) bond length is 1.98 Å. The Li(1)-O(2) bond length is 1.95 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 P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Li(2)-O(3) bond length is 2.03 Å. The Li(2)-O(4) bond length is 1.95 Å. The Li(2)-O(5) bond length is 2.00 Å. The Li(2)-O(8) bond length is 1.97 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(4), one O(6), 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 P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Zn(1)-O(2) bond length is 1.98 Å. The Zn(1)-O(4) bond length is 1.97 Å. The Zn(1)-O(6) bond length is 1.98 Å. The Zn(1)-O(8) bond length is 1.97 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(3), one O(5), 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 P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Zn(2)-O(1) bond length is 1.96 Å. The Zn(2)-O(3) bond length is 1.99 Å. The Zn(2)-O(5) bond length is 1.99 Å. The Zn(2)-O(7) bond length is 1.98 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form PO4 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 P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.56 Å. The P(1)-O(6) bond length is 1.55 Å. The P(1)-O(7) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form PO4 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 P(2)-O(1) bond length is 1.56 Å. The P(2)-O(2) bond length is 1.56 Å. The P(2)-O(5) bond length is 1.56 Å. The P(2)-O(8) bond length is 1.55 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Zn(2), and one P(2) atom. In the second O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Zn(1), and one P(1) atom. In the third O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Zn(2), and one P(1) atom. In the fourth O site, O(8) is bonded in a trigonal planar geometry to one Li(2), one Zn(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Zn(2), and one P(2) atom. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Zn(1), and one P(2) atom. In the seventh O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Zn(2), and one P(1) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Zn(1), and one P(1) atom.