Ni3(BO3)2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 66°. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), two equivalent Ni(2), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Ni(2), and one B(1) atom.
Ni3(BO3)2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 66°. Both Ni(1)-O(1) bond lengths are 2.07 Å. All Ni(1)-O(2) bond lengths are 2.07 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. Both Ni(2)-O(1) bond lengths are 2.10 Å. There are two shorter (2.02 Å) and two longer (2.12 Å) Ni(2)-O(2) bond lengths. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. The B(1)-O(1) bond length is 1.37 Å. Both B(1)-O(2) bond lengths are 1.39 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), two equivalent Ni(2), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Ni(2), and one B(1) atom.