GdBi3 crystallizes in the tetragonal I4/mmm space group. Gd(1) is bonded to four equivalent Bi(2) and eight equivalent Bi(1) atoms to form GdBi12 cuboctahedra that share corners with four equivalent Gd(1)Bi12 cuboctahedra, edges with eight equivalent Gd(1)Bi12 cuboctahedra, edges with sixteen equivalent Bi(1)Gd4Bi8 cuboctahedra, faces with four equivalent Gd(1)Bi12 cuboctahedra, and faces with eight equivalent Bi(1)Gd4Bi8 cuboctahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Gd(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted BiGd4Bi8 cuboctahedra that share corners with twelve equivalent Bi(1)Gd4Bi8 cuboctahedra, edges with eight equivalent Gd(1)Bi12 cuboctahedra, edges with eight equivalent Bi(1)Gd4Bi8 cuboctahedra, faces with four equivalent Gd(1)Bi12 cuboctahedra, and faces with ten equivalent Bi(1)Gd4Bi8 cuboctahedra. In the second Bi site, Bi(2) is bonded in a square co-planar geometry to four equivalent Gd(1) and eight equivalent Bi(1) atoms.
GdBi3 crystallizes in the tetragonal I4/mmm space group. Gd(1) is bonded to four equivalent Bi(2) and eight equivalent Bi(1) atoms to form GdBi12 cuboctahedra that share corners with four equivalent Gd(1)Bi12 cuboctahedra, edges with eight equivalent Gd(1)Bi12 cuboctahedra, edges with sixteen equivalent Bi(1)Gd4Bi8 cuboctahedra, faces with four equivalent Gd(1)Bi12 cuboctahedra, and faces with eight equivalent Bi(1)Gd4Bi8 cuboctahedra. All Gd(1)-Bi(2) bond lengths are 3.31 Å. All Gd(1)-Bi(1) bond lengths are 3.58 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Gd(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted BiGd4Bi8 cuboctahedra that share corners with twelve equivalent Bi(1)Gd4Bi8 cuboctahedra, edges with eight equivalent Gd(1)Bi12 cuboctahedra, edges with eight equivalent Bi(1)Gd4Bi8 cuboctahedra, faces with four equivalent Gd(1)Bi12 cuboctahedra, and faces with ten equivalent Bi(1)Gd4Bi8 cuboctahedra. All Bi(1)-Bi(1) bond lengths are 3.31 Å. All Bi(1)-Bi(2) bond lengths are 3.58 Å. In the second Bi site, Bi(2) is bonded in a square co-planar geometry to four equivalent Gd(1) and eight equivalent Bi(1) atoms.