Na3CdCPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. In the second Na site, Na(2) 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. Cd(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 CdO6 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 Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Cd(1), and one C(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), one Cd(1), and one C(1) atom to form distorted corner-sharing ONa3CdC trigonal bipyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Cd(1), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Na(2), one Cd(1), and one P(1) atom to form corner-sharing ONa2CdP tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Cd(1), and one P(1) atom.
Na3CdCPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. The Na(1)-O(2) bond length is 2.36 Å. The Na(1)-O(3) bond length is 2.54 Å. There is one shorter (2.48 Å) and one longer (2.77 Å) Na(1)-O(1) bond length. Both Na(1)-O(4) bond lengths are 2.49 Å. In the second Na site, Na(2) 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 Na(2)-O(1) bond length is 2.37 Å. The Na(2)-O(2) bond length is 2.66 Å. The Na(2)-O(3) bond length is 2.57 Å. The Na(2)-O(4) bond length is 2.50 Å. The Na(2)-O(5) bond length is 2.39 Å. The Na(2)-O(6) bond length is 2.40 Å. Cd(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 CdO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. The Cd(1)-O(2) bond length is 2.48 Å. The Cd(1)-O(3) bond length is 2.42 Å. The Cd(1)-O(5) bond length is 2.23 Å. The Cd(1)-O(6) bond length is 2.33 Å. Both Cd(1)-O(4) bond lengths are 2.31 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 1.30 Å. The C(1)-O(2) bond length is 1.30 Å. The C(1)-O(3) bond length is 1.31 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 Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. The P(1)-O(5) bond length is 1.57 Å. The P(1)-O(6) bond length is 1.56 Å. Both P(1)-O(4) bond lengths are 1.56 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Cd(1), and one C(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), one Cd(1), and one C(1) atom to form distorted corner-sharing ONa3CdC trigonal bipyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Cd(1), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Na(2), one Cd(1), and one P(1) atom to form corner-sharing ONa2CdP tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Cd(1), and one P(1) atom.