K2NdCPO7 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Nd(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted NdO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent K(1), one Nd(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Nd(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Nd(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Nd(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one Nd(1), and one P(1) atom.
K2NdCPO7 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The K(1)-O(1) bond length is 2.57 Å. The K(1)-O(2) bond length is 2.66 Å. The K(1)-O(3) bond length is 2.69 Å. The K(1)-O(4) bond length is 3.10 Å. The K(1)-O(5) bond length is 2.93 Å. The K(1)-O(6) bond length is 2.98 Å. Nd(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted NdO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. The Nd(1)-O(2) bond length is 2.48 Å. The Nd(1)-O(3) bond length is 2.37 Å. The Nd(1)-O(5) bond length is 2.35 Å. The Nd(1)-O(6) bond length is 2.37 Å. Both Nd(1)-O(4) bond lengths are 2.39 Å. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.26 Å. The C(1)-O(2) bond length is 1.31 Å. The C(1)-O(3) bond length is 1.33 Å. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-58°. The P(1)-O(5) bond length is 1.57 Å. The P(1)-O(6) bond length is 1.57 Å. Both P(1)-O(4) bond lengths are 1.55 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent K(1), one Nd(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Nd(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Nd(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Nd(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one Nd(1), and one P(1) atom.