NaVCPO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(6) atoms. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form VO6 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(4), one O(5), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-40°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted L-shaped geometry to one Na(1), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one P(1) atom.
NaVCPO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(6) atoms. The Na(1)-O(1) bond length is 2.37 Å. The Na(1)-O(2) bond length is 2.34 Å. The Na(1)-O(3) bond length is 2.79 Å. Both Na(1)-O(6) bond lengths are 2.49 Å. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. The V(1)-O(2) bond length is 2.04 Å. The V(1)-O(3) bond length is 1.99 Å. The V(1)-O(4) bond length is 1.87 Å. The V(1)-O(5) bond length is 1.88 Å. Both V(1)-O(6) bond lengths are 1.99 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 1.24 Å. The C(1)-O(2) bond length is 1.33 Å. The C(1)-O(3) bond length is 1.33 Å. P(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-40°. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(5) bond length is 1.55 Å. Both P(1)-O(6) bond lengths are 1.54 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted L-shaped geometry to one Na(1), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one P(1) atom.