Co3(PO4)4 crystallizes in the triclinic P1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CoO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(11), one O(12), one O(15), one O(2), and one O(4) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(10), one O(14), one O(15), one O(16), one O(2), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O5 square pyramids, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 40°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(14), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Co(3)O6 octahedra and  a cornercorner with one Co(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 31-45°. In the third P site, P(3) is bonded to one O(12), one O(15), one O(2), and one O(3) atom to form PO4 tetrahedra that share corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-56°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O5 square pyramids, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 41°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one P(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) 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 distorted bent 150 degrees geometry to one Co(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Co(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(3) and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Co(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Co(2) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom.
Co3(PO4)4 crystallizes in the triclinic P1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CoO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Co(1)-O(1) bond length is 1.98 Å. The Co(1)-O(5) bond length is 1.87 Å. The Co(1)-O(6) bond length is 1.94 Å. The Co(1)-O(7) bond length is 1.88 Å. The Co(1)-O(8) bond length is 1.92 Å. In the second Co site, Co(2) is bonded to one O(11), one O(12), one O(15), one O(2), and one O(4) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The Co(2)-O(11) bond length is 1.85 Å. The Co(2)-O(12) bond length is 1.92 Å. The Co(2)-O(15) bond length is 1.96 Å. The Co(2)-O(2) bond length is 1.97 Å. The Co(2)-O(4) bond length is 1.83 Å. In the third Co site, Co(3) is bonded to one O(10), one O(14), one O(15), one O(16), one O(2), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. The Co(3)-O(10) bond length is 1.96 Å. The Co(3)-O(14) bond length is 1.93 Å. The Co(3)-O(15) bond length is 2.45 Å. The Co(3)-O(16) bond length is 2.00 Å. The Co(3)-O(2) bond length is 2.06 Å. The Co(3)-O(9) bond length is 1.80 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O5 square pyramids, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 40°. The P(1)-O(16) bond length is 1.53 Å. The P(1)-O(4) bond length is 1.58 Å. The P(1)-O(6) bond length is 1.53 Å. The P(1)-O(7) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(1), one O(13), one O(14), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Co(3)O6 octahedra and  a cornercorner with one Co(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 31-45°. The P(2)-O(1) bond length is 1.53 Å. The P(2)-O(13) bond length is 1.54 Å. The P(2)-O(14) bond length is 1.56 Å. The P(2)-O(9) bond length is 1.56 Å. In the third P site, P(3) is bonded to one O(12), one O(15), one O(2), and one O(3) atom to form PO4 tetrahedra that share corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-56°. The P(3)-O(12) bond length is 1.59 Å. The P(3)-O(15) bond length is 1.56 Å. The P(3)-O(2) bond length is 1.61 Å. The P(3)-O(3) bond length is 1.49 Å. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O5 square pyramids, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 41°. The P(4)-O(10) bond length is 1.53 Å. The P(4)-O(11) bond length is 1.56 Å. The P(4)-O(5) bond length is 1.56 Å. The P(4)-O(8) bond length is 1.53 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one P(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) 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 distorted bent 150 degrees geometry to one Co(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Co(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(3) and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Co(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Co(2) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom.