CoPO4 crystallizes in the orthorhombic Pnma space group. Co(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one P(1) atom.
CoPO4 crystallizes in the orthorhombic Pnma space group. Co(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. The Co(1)-O(1) bond length is 1.96 Å. The Co(1)-O(2) bond length is 1.94 Å. There are two shorter (1.97 Å) and two longer (2.23 Å) Co(1)-O(3) bond lengths. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(2) bond length is 1.53 Å. Both P(1)-O(3) bond lengths are 1.59 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one P(1) atom.