Co3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(13), one O(15), one O(16), one O(2), one O(6), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(10), one O(13), one O(16), one O(4), and one O(5) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the third Co site, Co(3) is bonded to one O(10), one O(12), one O(14), one O(3), one O(7), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner 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(15), one O(2), one O(4), 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)O6 octahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-49°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(13), and one O(14) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-53°. In the third P site, P(3) is bonded to one O(12), one O(16), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-52°. In the fourth P site, P(4) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra and corners with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(3) and one P(4) 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(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(3) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Co(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Co(3) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Co(3) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(3) atom.
Co3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(13), one O(15), one O(16), one O(2), one O(6), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. The Co(1)-O(13) bond length is 1.93 Å. The Co(1)-O(15) bond length is 1.87 Å. The Co(1)-O(16) bond length is 2.03 Å. The Co(1)-O(2) bond length is 1.94 Å. The Co(1)-O(6) bond length is 1.96 Å. The Co(1)-O(9) bond length is 1.86 Å. In the second Co site, Co(2) is bonded to one O(10), one O(13), one O(16), one O(4), and one O(5) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. The Co(2)-O(10) bond length is 1.89 Å. The Co(2)-O(13) bond length is 1.90 Å. The Co(2)-O(16) bond length is 1.98 Å. The Co(2)-O(4) bond length is 1.81 Å. The Co(2)-O(5) bond length is 1.79 Å. In the third Co site, Co(3) is bonded to one O(10), one O(12), one O(14), one O(3), one O(7), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The Co(3)-O(10) bond length is 2.26 Å. The Co(3)-O(12) bond length is 1.93 Å. The Co(3)-O(14) bond length is 1.93 Å. The Co(3)-O(3) bond length is 2.01 Å. The Co(3)-O(7) bond length is 1.91 Å. The Co(3)-O(8) bond length is 1.92 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(15), one O(2), one O(4), 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)O6 octahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-49°. The P(1)-O(15) bond length is 1.53 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.58 Å. The P(1)-O(8) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(10), one O(11), one O(13), and one O(14) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-53°. The P(2)-O(10) bond length is 1.62 Å. The P(2)-O(11) bond length is 1.48 Å. The P(2)-O(13) bond length is 1.64 Å. The P(2)-O(14) bond length is 1.54 Å. In the third P site, P(3) is bonded to one O(12), one O(16), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-52°. The P(3)-O(12) bond length is 1.53 Å. The P(3)-O(16) bond length is 1.60 Å. The P(3)-O(5) bond length is 1.56 Å. The P(3)-O(6) bond length is 1.53 Å. In the fourth P site, P(4) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra and corners with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. The P(4)-O(1) bond length is 1.54 Å. The P(4)-O(3) bond length is 1.54 Å. The P(4)-O(7) bond length is 1.55 Å. The P(4)-O(9) bond length is 1.57 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(3) and one P(4) 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(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(3) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Co(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Co(3) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Co(3) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(3) atom.