LiKZnP2O7 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(8), two equivalent O(4), and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(5), and four equivalent O(3) atoms. Li(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. Zn(1) 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 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(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(1) and two equivalent P(2) atoms. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Li(1), and one P(2) atom. In the third 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 fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(2), one Zn(1), and one P(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Zn(1), and one P(2) atom. In the sixth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(2), one Li(1), and one P(1) atom. In the seventh 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 eighth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one K(2) and two equivalent P(1) atoms.
LiKZnP2O7 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(8), two equivalent O(4), and four equivalent O(1) atoms. The K(1)-O(8) bond length is 3.27 Å. Both K(1)-O(4) bond lengths are 2.87 Å. There are two shorter (3.15 Å) and two longer (3.24 Å) K(1)-O(1) bond lengths. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(5), and four equivalent O(3) atoms. The K(2)-O(7) bond length is 3.21 Å. Both K(2)-O(5) bond lengths are 2.85 Å. There are two shorter (3.13 Å) and two longer (3.27 Å) K(2)-O(3) bond lengths. Li(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Zn(1)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 1.94 Å. The Li(1)-O(2) bond length is 1.97 Å. The Li(1)-O(5) bond length is 1.94 Å. The Li(1)-O(6) bond length is 1.99 Å. Zn(1) 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 P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Zn(1)-O(2) bond length is 1.99 Å. The Zn(1)-O(3) bond length is 1.96 Å. The Zn(1)-O(4) bond length is 1.95 Å. The Zn(1)-O(6) 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(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.51 Å. The P(1)-O(6) bond length is 1.55 Å. The P(1)-O(7) bond length is 1.64 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The P(2)-O(1) bond length is 1.51 Å. The P(2)-O(2) bond length is 1.55 Å. The P(2)-O(4) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.64 Å. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(1) and two equivalent P(2) atoms. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Li(1), and one P(2) atom. In the third 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 fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(2), one Zn(1), and one P(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Zn(1), and one P(2) atom. In the sixth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(2), one Li(1), and one P(1) atom. In the seventh 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 eighth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one K(2) and two equivalent P(1) atoms.