CoNiO3 is Ilmenite structured and 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(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with six equivalent Ni(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with six equivalent Ni(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with six equivalent Co(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with six equivalent Co(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Co(1), one Co(2), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Co(1), one Co(2), one Ni(1), and one Ni(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), one Co(2), one Ni(1), and one Ni(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Co(1), one Co(2), one Ni(1), and one Ni(2) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Co(1), one Co(2), one Ni(1), and one Ni(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), one Co(2), one Ni(1), and one Ni(2) atom.
CoNiO3 is Ilmenite structured and 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(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with six equivalent Ni(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. The Co(1)-O(1) bond length is 1.86 Å. The Co(1)-O(2) bond length is 1.90 Å. The Co(1)-O(3) bond length is 1.85 Å. The Co(1)-O(4) bond length is 1.91 Å. The Co(1)-O(5) bond length is 1.91 Å. The Co(1)-O(6) bond length is 1.93 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with six equivalent Ni(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. The Co(2)-O(1) bond length is 1.91 Å. The Co(2)-O(2) bond length is 1.91 Å. The Co(2)-O(3) bond length is 1.92 Å. The Co(2)-O(4) bond length is 1.85 Å. The Co(2)-O(5) bond length is 1.91 Å. The Co(2)-O(6) bond length is 1.85 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with six equivalent Co(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. The Ni(1)-O(1) bond length is 2.01 Å. The Ni(1)-O(2) bond length is 2.12 Å. The Ni(1)-O(3) bond length is 2.14 Å. The Ni(1)-O(4) bond length is 2.01 Å. The Ni(1)-O(5) bond length is 2.00 Å. The Ni(1)-O(6) bond length is 2.14 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with six equivalent Co(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. The Ni(2)-O(1) bond length is 2.14 Å. The Ni(2)-O(2) bond length is 2.01 Å. The Ni(2)-O(3) bond length is 2.01 Å. The Ni(2)-O(4) bond length is 2.14 Å. The Ni(2)-O(5) bond length is 2.11 Å. The Ni(2)-O(6) bond length is 2.01 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Co(1), one Co(2), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Co(1), one Co(2), one Ni(1), and one Ni(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), one Co(2), one Ni(1), and one Ni(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Co(1), one Co(2), one Ni(1), and one Ni(2) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Co(1), one Co(2), one Ni(1), and one Ni(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Co(1), one Co(2), one Ni(1), and one Ni(2) atom.