CoCrO4 crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form CrO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. Co(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra, corners with four equivalent Cr(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Co(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Co(1) atom.
CoCrO4 crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form CrO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. The Cr(1)-O(2) bond length is 1.65 Å. The Cr(1)-O(3) bond length is 1.64 Å. Both Cr(1)-O(1) bond lengths are 1.70 Å. Co(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra, corners with four equivalent Cr(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. The Co(1)-O(2) bond length is 2.04 Å. The Co(1)-O(3) bond length is 2.02 Å. There are two shorter (2.07 Å) and two longer (2.24 Å) Co(1)-O(1) bond lengths. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Co(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Co(1) atom.