KNdPdO3 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. Nd(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. Pd(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent K(1), two equivalent Nd(1), and one Pd(1) atom to form distorted OK3Nd2Pd octahedra that share corners with five equivalent O(3)K2Nd3Pd octahedra, edges with four equivalent O(3)K2Nd3Pd octahedra, and edges with four equivalent O(1)K3Nd2Pd octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Nd(1), and two equivalent Pd(1) atoms. In the third O site, O(3) is bonded to two equivalent K(1), three equivalent Nd(1), and one Pd(1) atom to form distorted OK2Nd3Pd octahedra that share corners with five equivalent O(1)K3Nd2Pd octahedra, edges with four equivalent O(3)K2Nd3Pd octahedra, and edges with four equivalent O(1)K3Nd2Pd octahedra. The corner-sharing octahedral tilt angles range from 7-9°.
KNdPdO3 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. There is one shorter (2.93 Å) and one longer (3.04 Å) K(1)-O(2) bond length. Both K(1)-O(3) bond lengths are 2.98 Å. There is one shorter (2.68 Å) and two longer (2.97 Å) K(1)-O(1) bond lengths. Nd(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. Both Nd(1)-O(1) bond lengths are 2.49 Å. There is one shorter (2.40 Å) and one longer (2.44 Å) Nd(1)-O(2) bond length. There is one shorter (2.35 Å) and two longer (2.61 Å) Nd(1)-O(3) bond lengths. Pd(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. The Pd(1)-O(1) bond length is 2.06 Å. The Pd(1)-O(3) bond length is 2.10 Å. Both Pd(1)-O(2) bond lengths are 2.01 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent K(1), two equivalent Nd(1), and one Pd(1) atom to form distorted OK3Nd2Pd octahedra that share corners with five equivalent O(3)K2Nd3Pd octahedra, edges with four equivalent O(3)K2Nd3Pd octahedra, and edges with four equivalent O(1)K3Nd2Pd octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Nd(1), and two equivalent Pd(1) atoms. In the third O site, O(3) is bonded to two equivalent K(1), three equivalent Nd(1), and one Pd(1) atom to form distorted OK2Nd3Pd octahedra that share corners with five equivalent O(1)K3Nd2Pd octahedra, edges with four equivalent O(3)K2Nd3Pd octahedra, and edges with four equivalent O(1)K3Nd2Pd octahedra. The corner-sharing octahedral tilt angles range from 7-9°.