CoPHO5 crystallizes in the triclinic P-1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-45°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the second P site, P(2) is bonded to one O(10), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(2)O6 octahedra and corners with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-53°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) and one O(3) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(4) atom. There are ten 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 H(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(1), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(2), one P(2), and one H(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Co(3) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Co(3) and one P(2) atom.
CoPHO5 crystallizes in the triclinic P-1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. Both Co(1)-O(1) bond lengths are 2.01 Å. Both Co(1)-O(3) bond lengths are 2.00 Å. Both Co(1)-O(6) bond lengths are 1.94 Å. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. Both Co(2)-O(2) bond lengths are 2.02 Å. Both Co(2)-O(4) bond lengths are 2.01 Å. Both Co(2)-O(5) bond lengths are 1.95 Å. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-45°. The Co(3)-O(1) bond length is 1.85 Å. The Co(3)-O(10) bond length is 1.89 Å. The Co(3)-O(2) bond length is 1.86 Å. The Co(3)-O(7) bond length is 1.90 Å. The Co(3)-O(8) bond length is 1.89 Å. The Co(3)-O(9) bond length is 1.89 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(6) bond length is 1.54 Å. The P(1)-O(7) bond length is 1.56 Å. The P(1)-O(9) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(10), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(2)O6 octahedra and corners with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-53°. The P(2)-O(10) bond length is 1.56 Å. The P(2)-O(4) bond length is 1.55 Å. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.56 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) and one O(3) atom. The H(1)-O(2) bond length is 1.00 Å. The H(1)-O(3) bond length is 1.70 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(4) atom. The H(2)-O(1) bond length is 1.00 Å. The H(2)-O(4) bond length is 1.69 Å. There are ten 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 H(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(1), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(2), one P(2), and one H(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Co(3) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Co(3) and one P(2) atom.