KLiZn3O4 crystallizes in the monoclinic Cm space group. K(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Li(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 trigonal pyramids, corners with three equivalent Zn(3)O4 trigonal pyramids, and edges with two equivalent Zn(1)O4 tetrahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 trigonal pyramids, corners with three equivalent Zn(3)O4 trigonal pyramids, and edges with two equivalent Li(1)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted ZnO4 trigonal pyramids that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 trigonal pyramids, and edges with two equivalent Zn(3)O4 trigonal pyramids. In the third Zn site, Zn(3) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 trigonal pyramids that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 trigonal pyramids, and edges with two equivalent Zn(2)O4 trigonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(1), one Zn(3), and two equivalent Zn(2) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent K(1), one Zn(1), one Zn(2), and two equivalent Zn(3) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(1), one Zn(2), and two equivalent Zn(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Li(1), one Zn(1), and one Zn(3) atom.
KLiZn3O4 crystallizes in the monoclinic Cm space group. K(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both K(1)-O(1) bond lengths are 2.89 Å. Both K(1)-O(2) bond lengths are 2.99 Å. Both K(1)-O(3) bond lengths are 2.90 Å. Both K(1)-O(4) bond lengths are 2.94 Å. Li(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 trigonal pyramids, corners with three equivalent Zn(3)O4 trigonal pyramids, and edges with two equivalent Zn(1)O4 tetrahedra. The Li(1)-O(1) bond length is 2.00 Å. The Li(1)-O(3) bond length is 2.21 Å. Both Li(1)-O(4) bond lengths are 1.97 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 trigonal pyramids, corners with three equivalent Zn(3)O4 trigonal pyramids, and edges with two equivalent Li(1)O4 tetrahedra. The Zn(1)-O(2) bond length is 1.99 Å. The Zn(1)-O(4) bond length is 2.00 Å. Both Zn(1)-O(3) bond lengths are 2.01 Å. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted ZnO4 trigonal pyramids that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 trigonal pyramids, and edges with two equivalent Zn(3)O4 trigonal pyramids. The Zn(2)-O(2) bond length is 2.26 Å. The Zn(2)-O(3) bond length is 1.95 Å. Both Zn(2)-O(1) bond lengths are 1.98 Å. In the third Zn site, Zn(3) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 trigonal pyramids that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 trigonal pyramids, and edges with two equivalent Zn(2)O4 trigonal pyramids. The Zn(3)-O(1) bond length is 2.12 Å. The Zn(3)-O(4) bond length is 1.92 Å. Both Zn(3)-O(2) bond lengths are 2.03 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(1), one Zn(3), and two equivalent Zn(2) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent K(1), one Zn(1), one Zn(2), and two equivalent Zn(3) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(1), one Zn(2), and two equivalent Zn(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Li(1), one Zn(1), and one Zn(3) atom.