Na2TiCPO7 crystallizes in the monoclinic P2_1/m space group. Na(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. Ti(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form TiO6 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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Ti(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to two equivalent Na(1), one Ti(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Ti(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ti(1), and one P(1) atom.
Na2TiCPO7 crystallizes in the monoclinic P2_1/m space group. Na(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 Na(1)-O(1) bond length is 2.24 Å. The Na(1)-O(2) bond length is 2.39 Å. The Na(1)-O(3) bond length is 2.35 Å. The Na(1)-O(4) bond length is 2.58 Å. The Na(1)-O(5) bond length is 2.43 Å. The Na(1)-O(6) bond length is 2.72 Å. Ti(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. The Ti(1)-O(2) bond length is 2.06 Å. The Ti(1)-O(3) bond length is 2.12 Å. The Ti(1)-O(5) bond length is 2.11 Å. The Ti(1)-O(6) bond length is 2.13 Å. Both Ti(1)-O(4) bond lengths are 2.02 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 1.25 Å. The C(1)-O(2) bond length is 1.32 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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. The P(1)-O(5) bond length is 1.55 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 3-coordinate geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Ti(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to two equivalent Na(1), one Ti(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Ti(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ti(1), and one P(1) atom.