Ni5Ga3 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to two equivalent Ni(3), four equivalent Ni(2), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Ni(3), four equivalent Ni(1), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted NiGa6Ni6 cuboctahedra that share corners with twelve equivalent Ni(2)Ga6Ni6 cuboctahedra, edges with four equivalent Ni(3)Ga4Ni8 cuboctahedra, faces with two equivalent Ni(3)Ga4Ni8 cuboctahedra, and faces with six equivalent Ni(2)Ga6Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to four equivalent Ni(1), four equivalent Ni(2), and four equivalent Ga(1) atoms to form distorted NiGa4Ni8 cuboctahedra that share corners with four equivalent Ni(3)Ga4Ni8 cuboctahedra, edges with eight equivalent Ni(2)Ga6Ni6 cuboctahedra, faces with two equivalent Ni(3)Ga4Ni8 cuboctahedra, and faces with four equivalent Ni(2)Ga6Ni6 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Ni(3), four equivalent Ni(1), and four equivalent Ni(2) atoms. In the second Ga site, Ga(2) is bonded in a distorted body-centered cubic geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms.
Ni5Ga3 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to two equivalent Ni(3), four equivalent Ni(2), two equivalent Ga(2), and four equivalent Ga(1) atoms. Both Ni(1)-Ni(3) bond lengths are 2.61 Å. All Ni(1)-Ni(2) bond lengths are 2.63 Å. Both Ni(1)-Ga(2) bond lengths are 2.38 Å. There are two shorter (2.46 Å) and two longer (2.57 Å) Ni(1)-Ga(1) bond lengths. In the second Ni site, Ni(2) is bonded to two equivalent Ni(3), four equivalent Ni(1), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted NiGa6Ni6 cuboctahedra that share corners with twelve equivalent Ni(2)Ga6Ni6 cuboctahedra, edges with four equivalent Ni(3)Ga4Ni8 cuboctahedra, faces with two equivalent Ni(3)Ga4Ni8 cuboctahedra, and faces with six equivalent Ni(2)Ga6Ni6 cuboctahedra. Both Ni(2)-Ni(3) bond lengths are 2.50 Å. Both Ni(2)-Ga(2) bond lengths are 2.50 Å. All Ni(2)-Ga(1) bond lengths are 2.50 Å. In the third Ni site, Ni(3) is bonded to four equivalent Ni(1), four equivalent Ni(2), and four equivalent Ga(1) atoms to form distorted NiGa4Ni8 cuboctahedra that share corners with four equivalent Ni(3)Ga4Ni8 cuboctahedra, edges with eight equivalent Ni(2)Ga6Ni6 cuboctahedra, faces with two equivalent Ni(3)Ga4Ni8 cuboctahedra, and faces with four equivalent Ni(2)Ga6Ni6 cuboctahedra. All Ni(3)-Ga(1) bond lengths are 2.46 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Ni(3), four equivalent Ni(1), and four equivalent Ni(2) atoms. In the second Ga site, Ga(2) is bonded in a distorted body-centered cubic geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms.