ZrGa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form ZrGa12 cuboctahedra that share corners with four equivalent Zr(1)Ga12 cuboctahedra, edges with eight equivalent Zr(1)Ga12 cuboctahedra, edges with sixteen equivalent Ga(1)Zr4Ga8 cuboctahedra, faces with four equivalent Zr(1)Ga12 cuboctahedra, and faces with eight equivalent Ga(1)Zr4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Zr(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaZr4Ga8 cuboctahedra that share corners with twelve equivalent Ga(1)Zr4Ga8 cuboctahedra, edges with eight equivalent Zr(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Zr4Ga8 cuboctahedra, faces with four equivalent Zr(1)Ga12 cuboctahedra, and faces with ten equivalent Ga(1)Zr4Ga8 cuboctahedra. In the second Ga site, Ga(2) is bonded in a square co-planar geometry to four equivalent Zr(1) and eight equivalent Ga(1) atoms.
ZrGa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form ZrGa12 cuboctahedra that share corners with four equivalent Zr(1)Ga12 cuboctahedra, edges with eight equivalent Zr(1)Ga12 cuboctahedra, edges with sixteen equivalent Ga(1)Zr4Ga8 cuboctahedra, faces with four equivalent Zr(1)Ga12 cuboctahedra, and faces with eight equivalent Ga(1)Zr4Ga8 cuboctahedra. All Zr(1)-Ga(2) bond lengths are 2.75 Å. All Zr(1)-Ga(1) bond lengths are 2.99 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Zr(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaZr4Ga8 cuboctahedra that share corners with twelve equivalent Ga(1)Zr4Ga8 cuboctahedra, edges with eight equivalent Zr(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Zr4Ga8 cuboctahedra, faces with four equivalent Zr(1)Ga12 cuboctahedra, and faces with ten equivalent Ga(1)Zr4Ga8 cuboctahedra. All Ga(1)-Ga(1) bond lengths are 2.75 Å. All Ga(1)-Ga(2) bond lengths are 2.99 Å. In the second Ga site, Ga(2) is bonded in a square co-planar geometry to four equivalent Zr(1) and eight equivalent Ga(1) atoms.