Ni2GaBO5 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ga(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-62°. In the second Ni site, Ni(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the third Ni site, Ni(3) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form NiO6 octahedra that share corners with four equivalent Ga(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ga(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. Ga(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form GaO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-62°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(1), one Ga(1), and one B(1) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ni(2), one Ga(1), and one B(1) atom. In the third O site, O(2) is bonded to one Ni(1), one Ni(2), and two equivalent Ga(1) atoms to form OGa2Ni2 tetrahedra that share corners with three equivalent O(4)Ga2Ni3 square pyramids, corners with three equivalent O(2)Ga2Ni2 tetrahedra, and  an edgeedge with one O(4)Ga2Ni3 square pyramid. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Ni(3), two equivalent Ni(1), and one B(1) atom. In the fifth O site, O(4) is bonded to one Ni(1), two equivalent Ni(3), and two equivalent Ga(1) atoms to form OGa2Ni3 square pyramids that share corners with two equivalent O(4)Ga2Ni3 square pyramids, corners with three equivalent O(2)Ga2Ni2 tetrahedra, edges with three equivalent O(4)Ga2Ni3 square pyramids, and  an edgeedge with one O(2)Ga2Ni2 tetrahedra.
Ni2GaBO5 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ga(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-62°. The Ni(1)-O(2) bond length is 1.96 Å. The Ni(1)-O(4) bond length is 2.02 Å. Both Ni(1)-O(3) bond lengths are 2.10 Å. Both Ni(1)-O(5) bond lengths are 2.11 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. Both Ni(2)-O(2) bond lengths are 2.02 Å. All Ni(2)-O(1) bond lengths are 2.10 Å. In the third Ni site, Ni(3) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form NiO6 octahedra that share corners with four equivalent Ga(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ga(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. Both Ni(3)-O(3) bond lengths are 2.05 Å. All Ni(3)-O(4) bond lengths are 2.08 Å. Ga(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form GaO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-62°. The Ga(1)-O(1) bond length is 2.06 Å. The Ga(1)-O(5) bond length is 2.04 Å. Both Ga(1)-O(2) bond lengths are 1.93 Å. Both Ga(1)-O(4) bond lengths are 2.03 Å. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. The B(1)-O(1) bond length is 1.39 Å. The B(1)-O(3) bond length is 1.37 Å. The B(1)-O(5) bond length is 1.39 Å. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(1), one Ga(1), and one B(1) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ni(2), one Ga(1), and one B(1) atom. In the third O site, O(2) is bonded to one Ni(1), one Ni(2), and two equivalent Ga(1) atoms to form OGa2Ni2 tetrahedra that share corners with three equivalent O(4)Ga2Ni3 square pyramids, corners with three equivalent O(2)Ga2Ni2 tetrahedra, and  an edgeedge with one O(4)Ga2Ni3 square pyramid. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Ni(3), two equivalent Ni(1), and one B(1) atom. In the fifth O site, O(4) is bonded to one Ni(1), two equivalent Ni(3), and two equivalent Ga(1) atoms to form OGa2Ni3 square pyramids that share corners with two equivalent O(4)Ga2Ni3 square pyramids, corners with three equivalent O(2)Ga2Ni2 tetrahedra, edges with three equivalent O(4)Ga2Ni3 square pyramids, and  an edgeedge with one O(2)Ga2Ni2 tetrahedra.