NaCoPO4 is Chalcostibite-derived structured and crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. Co(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CoO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Co(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 Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Co(1), and one P(1) atom.
NaCoPO4 is Chalcostibite-derived structured and crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. The Na(1)-O(1) bond length is 2.36 Å. The Na(1)-O(2) bond length is 2.35 Å. The Na(1)-O(4) bond length is 2.32 Å. There is one shorter (2.37 Å) and one longer (2.78 Å) Na(1)-O(3) bond length. Co(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CoO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. The Co(1)-O(1) bond length is 1.96 Å. The Co(1)-O(2) bond length is 1.97 Å. The Co(1)-O(3) bond length is 2.03 Å. The Co(1)-O(4) bond length is 1.98 Å. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.57 Å. The P(1)-O(4) bond length is 1.55 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Co(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 Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Co(1), and one P(1) atom.