Co2PO4Cl crystallizes in the monoclinic C2/c space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent Cl(1) atoms to form distorted CoCl2O4 octahedra that share  a cornercorner with one Co(2)Cl2O4 octahedra,  a cornercorner with one Co(3)Cl2O4 octahedra, corners with two equivalent Co(1)Cl2O4 octahedra, corners with four equivalent P(1)O4 tetrahedra,  a faceface with one Co(2)Cl2O4 octahedra, and  a faceface with one Co(3)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 7-78°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent Cl(1) atoms to form distorted CoCl2O4 octahedra that share corners with two equivalent Co(1)Cl2O4 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Co(3)Cl2O4 octahedra, and faces with two equivalent Co(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 70°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms to form distorted CoCl2O4 octahedra that share corners with two equivalent Co(1)Cl2O4 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Co(2)Cl2O4 octahedra, and faces with two equivalent Co(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 78°. 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 two equivalent Co(2)Cl2O4 octahedra, corners with two equivalent Co(3)Cl2O4 octahedra, and corners with four equivalent Co(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 30-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(3), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(1) atom. Cl(1) is bonded in a distorted see-saw-like geometry to one Co(2), one Co(3), and two equivalent Co(1) atoms.
Co2PO4Cl crystallizes in the monoclinic C2/c space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent Cl(1) atoms to form distorted CoCl2O4 octahedra that share  a cornercorner with one Co(2)Cl2O4 octahedra,  a cornercorner with one Co(3)Cl2O4 octahedra, corners with two equivalent Co(1)Cl2O4 octahedra, corners with four equivalent P(1)O4 tetrahedra,  a faceface with one Co(2)Cl2O4 octahedra, and  a faceface with one Co(3)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 7-78°. The Co(1)-O(1) bond length is 2.06 Å. The Co(1)-O(2) bond length is 2.26 Å. The Co(1)-O(3) bond length is 1.95 Å. The Co(1)-O(4) bond length is 2.07 Å. There is one shorter (2.43 Å) and one longer (2.58 Å) Co(1)-Cl(1) bond length. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent Cl(1) atoms to form distorted CoCl2O4 octahedra that share corners with two equivalent Co(1)Cl2O4 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Co(3)Cl2O4 octahedra, and faces with two equivalent Co(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 70°. Both Co(2)-O(2) bond lengths are 2.21 Å. Both Co(2)-O(4) bond lengths are 2.08 Å. Both Co(2)-Cl(1) bond lengths are 2.45 Å. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms to form distorted CoCl2O4 octahedra that share corners with two equivalent Co(1)Cl2O4 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Co(2)Cl2O4 octahedra, and faces with two equivalent Co(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 78°. Both Co(3)-O(1) bond lengths are 2.03 Å. Both Co(3)-O(2) bond lengths are 2.16 Å. Both Co(3)-Cl(1) bond lengths are 2.54 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 two equivalent Co(2)Cl2O4 octahedra, corners with two equivalent Co(3)Cl2O4 octahedra, and corners with four equivalent Co(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 30-58°. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(2) bond length is 1.59 Å. The P(1)-O(3) bond length is 1.50 Å. The P(1)-O(4) bond length is 1.57 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(3), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(1) atom. Cl(1) is bonded in a distorted see-saw-like geometry to one Co(2), one Co(3), and two equivalent Co(1) atoms.