NaCuP2O7 crystallizes in the monoclinic Cc space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(7) atoms. Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(5), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one P(2) atom.
NaCuP2O7 crystallizes in the monoclinic Cc space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(7) atoms. The Na(1)-O(1) bond length is 2.54 Å. The Na(1)-O(2) bond length is 2.41 Å. The Na(1)-O(3) bond length is 2.27 Å. The Na(1)-O(5) bond length is 2.57 Å. There is one shorter (2.31 Å) and one longer (2.50 Å) Na(1)-O(7) bond length. Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(5), and one O(6) atom. The Cu(1)-O(1) bond length is 1.83 Å. The Cu(1)-O(2) bond length is 1.83 Å. The Cu(1)-O(5) bond length is 1.83 Å. The Cu(1)-O(6) bond length is 1.81 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.47 Å. The P(1)-O(4) bond length is 1.62 Å. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. The P(2)-O(4) bond length is 1.62 Å. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.53 Å. The P(2)-O(7) bond length is 1.48 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one P(2) atom.