CoNi2(PO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(13), one O(2), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(14), one O(2), one O(6), and one O(9) atom to form distorted CoO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-64°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(13), one O(15), one O(3), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the second Ni site, Ni(2) is bonded to one O(14), one O(16), one O(2), one O(4), one O(5), and one O(7) atom to form NiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the third Ni site, Ni(3) is bonded to one O(11), one O(12), one O(15), one O(3), one O(4), and one O(7) atom to form distorted NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-63°. In the fourth Ni site, Ni(4) is bonded to one O(11), one O(12), one O(16), one O(3), one O(4), and one O(8) atom to form distorted NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-63°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(2), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), one Co(2), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), one Co(2), one Ni(2), and one P(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(3), one Ni(4), and one P(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(3), one Ni(4), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Ni(2), and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(2), one Ni(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(4), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ni(3), one Ni(4), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ni(3), one Ni(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Co(1), one Ni(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Co(2), one Ni(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(4), and one P(4) atom.
CoNi2(PO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(13), one O(2), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. The Co(1)-O(1) bond length is 2.28 Å. The Co(1)-O(10) bond length is 2.04 Å. The Co(1)-O(13) bond length is 2.16 Å. The Co(1)-O(2) bond length is 2.13 Å. The Co(1)-O(5) bond length is 2.07 Å. The Co(1)-O(9) bond length is 2.15 Å. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(14), one O(2), one O(6), and one O(9) atom to form distorted CoO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-64°. The Co(2)-O(1) bond length is 2.10 Å. The Co(2)-O(10) bond length is 2.16 Å. The Co(2)-O(14) bond length is 2.17 Å. The Co(2)-O(2) bond length is 2.27 Å. The Co(2)-O(6) bond length is 2.07 Å. The Co(2)-O(9) bond length is 2.04 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(13), one O(15), one O(3), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-64°. The Ni(1)-O(1) bond length is 2.12 Å. The Ni(1)-O(13) bond length is 2.11 Å. The Ni(1)-O(15) bond length is 2.12 Å. The Ni(1)-O(3) bond length is 2.11 Å. The Ni(1)-O(6) bond length is 2.10 Å. The Ni(1)-O(8) bond length is 2.10 Å. In the second Ni site, Ni(2) is bonded to one O(14), one O(16), one O(2), one O(4), one O(5), and one O(7) atom to form NiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-63°. The Ni(2)-O(14) bond length is 2.10 Å. The Ni(2)-O(16) bond length is 2.11 Å. The Ni(2)-O(2) bond length is 2.11 Å. The Ni(2)-O(4) bond length is 2.11 Å. The Ni(2)-O(5) bond length is 2.10 Å. The Ni(2)-O(7) bond length is 2.11 Å. In the third Ni site, Ni(3) is bonded to one O(11), one O(12), one O(15), one O(3), one O(4), and one O(7) atom to form distorted NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-63°. The Ni(3)-O(11) bond length is 2.12 Å. The Ni(3)-O(12) bond length is 2.04 Å. The Ni(3)-O(15) bond length is 2.12 Å. The Ni(3)-O(3) bond length is 2.23 Å. The Ni(3)-O(4) bond length is 2.12 Å. The Ni(3)-O(7) bond length is 2.06 Å. In the fourth Ni site, Ni(4) is bonded to one O(11), one O(12), one O(16), one O(3), one O(4), and one O(8) atom to form distorted NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-63°. The Ni(4)-O(11) bond length is 2.04 Å. The Ni(4)-O(12) bond length is 2.12 Å. The Ni(4)-O(16) bond length is 2.12 Å. The Ni(4)-O(3) bond length is 2.12 Å. The Ni(4)-O(4) bond length is 2.22 Å. The Ni(4)-O(8) bond length is 2.07 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. The P(1)-O(1) bond length is 1.61 Å. The P(1)-O(13) bond length is 1.54 Å. The P(1)-O(8) bond length is 1.56 Å. The P(1)-O(9) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(10), one O(14), one O(2), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. The P(2)-O(10) bond length is 1.55 Å. The P(2)-O(14) bond length is 1.54 Å. The P(2)-O(2) bond length is 1.61 Å. The P(2)-O(7) bond length is 1.56 Å. In the third P site, P(3) is bonded to one O(11), one O(15), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. The P(3)-O(11) bond length is 1.55 Å. The P(3)-O(15) bond length is 1.54 Å. The P(3)-O(3) bond length is 1.61 Å. The P(3)-O(6) bond length is 1.55 Å. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. The P(4)-O(12) bond length is 1.55 Å. The P(4)-O(16) bond length is 1.54 Å. The P(4)-O(4) bond length is 1.61 Å. The P(4)-O(5) bond length is 1.56 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), one Co(2), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), one Co(2), one Ni(2), and one P(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(3), one Ni(4), and one P(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(3), one Ni(4), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Ni(2), and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(2), one Ni(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(4), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ni(3), one Ni(4), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ni(3), one Ni(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Co(1), one Ni(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Co(2), one Ni(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(4), and one P(4) atom.