Ni2CrO2BO3 crystallizes in the orthorhombic Pbam space group. Cr(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-62°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. In the third Ni site, Ni(3) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NiO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Ni(1), and one B(1) atom. In the second O site, O(1) is bonded to two equivalent Cr(1), one Ni(1), and one Ni(2) atom to form OCr2Ni2 tetrahedra that share corners with three equivalent O(3)Cr2Ni3 square pyramids, corners with three equivalent O(1)Cr2Ni2 tetrahedra, and  an edgeedge with one O(3)Cr2Ni3 square pyramid. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Ni(3), two equivalent Ni(2), and one B(1) atom. In the fourth O site, O(3) is bonded to two equivalent Cr(1), one Ni(2), and two equivalent Ni(3) atoms to form OCr2Ni3 square pyramids that share corners with two equivalent O(3)Cr2Ni3 square pyramids, corners with three equivalent O(1)Cr2Ni2 tetrahedra, edges with three equivalent O(3)Cr2Ni3 square pyramids, and  an edgeedge with one O(1)Cr2Ni2 tetrahedra. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to one Cr(1), two equivalent Ni(2), and one B(1) atom.
Ni2CrO2BO3 crystallizes in the orthorhombic Pbam space group. Cr(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-62°. The Cr(1)-O(4) bond length is 2.08 Å. The Cr(1)-O(5) bond length is 2.07 Å. Both Cr(1)-O(1) bond lengths are 1.99 Å. Both Cr(1)-O(3) bond lengths are 2.06 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. Both Ni(1)-O(1) bond lengths are 2.02 Å. All Ni(1)-O(5) bond lengths are 2.13 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. The Ni(2)-O(1) bond length is 1.97 Å. The Ni(2)-O(3) bond length is 2.05 Å. Both Ni(2)-O(2) bond lengths are 2.12 Å. Both Ni(2)-O(4) bond lengths are 2.15 Å. In the third Ni site, Ni(3) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NiO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. Both Ni(3)-O(2) bond lengths are 2.08 Å. All Ni(3)-O(3) bond lengths are 2.09 Å. B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. The B(1)-O(2) bond length is 1.38 Å. The B(1)-O(4) bond length is 1.39 Å. The B(1)-O(5) bond length is 1.40 Å. There are five inequivalent O sites. In the first O site, O(5) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Ni(1), and one B(1) atom. In the second O site, O(1) is bonded to two equivalent Cr(1), one Ni(1), and one Ni(2) atom to form OCr2Ni2 tetrahedra that share corners with three equivalent O(3)Cr2Ni3 square pyramids, corners with three equivalent O(1)Cr2Ni2 tetrahedra, and  an edgeedge with one O(3)Cr2Ni3 square pyramid. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Ni(3), two equivalent Ni(2), and one B(1) atom. In the fourth O site, O(3) is bonded to two equivalent Cr(1), one Ni(2), and two equivalent Ni(3) atoms to form OCr2Ni3 square pyramids that share corners with two equivalent O(3)Cr2Ni3 square pyramids, corners with three equivalent O(1)Cr2Ni2 tetrahedra, edges with three equivalent O(3)Cr2Ni3 square pyramids, and  an edgeedge with one O(1)Cr2Ni2 tetrahedra. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to one Cr(1), two equivalent Ni(2), and one B(1) atom.