AuBi3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Au(1) is bonded to four equivalent Bi(2) and eight equivalent Bi(1) atoms to form AuBi12 cuboctahedra that share corners with four equivalent Au(1)Bi12 cuboctahedra, edges with eight equivalent Au(1)Bi12 cuboctahedra, edges with sixteen equivalent Bi(1)Bi8Au4 cuboctahedra, faces with four equivalent Au(1)Bi12 cuboctahedra, and faces with eight equivalent Bi(1)Bi8Au4 cuboctahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Au(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted BiBi8Au4 cuboctahedra that share corners with twelve equivalent Bi(1)Bi8Au4 cuboctahedra, edges with eight equivalent Au(1)Bi12 cuboctahedra, edges with eight equivalent Bi(1)Bi8Au4 cuboctahedra, faces with four equivalent Au(1)Bi12 cuboctahedra, and faces with ten equivalent Bi(1)Bi8Au4 cuboctahedra. In the second Bi site, Bi(2) is bonded in a distorted square co-planar geometry to four equivalent Au(1) and eight equivalent Bi(1) atoms.
AuBi3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Au(1) is bonded to four equivalent Bi(2) and eight equivalent Bi(1) atoms to form AuBi12 cuboctahedra that share corners with four equivalent Au(1)Bi12 cuboctahedra, edges with eight equivalent Au(1)Bi12 cuboctahedra, edges with sixteen equivalent Bi(1)Bi8Au4 cuboctahedra, faces with four equivalent Au(1)Bi12 cuboctahedra, and faces with eight equivalent Bi(1)Bi8Au4 cuboctahedra. All Au(1)-Bi(2) bond lengths are 3.36 Å. All Au(1)-Bi(1) bond lengths are 3.46 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Au(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted BiBi8Au4 cuboctahedra that share corners with twelve equivalent Bi(1)Bi8Au4 cuboctahedra, edges with eight equivalent Au(1)Bi12 cuboctahedra, edges with eight equivalent Bi(1)Bi8Au4 cuboctahedra, faces with four equivalent Au(1)Bi12 cuboctahedra, and faces with ten equivalent Bi(1)Bi8Au4 cuboctahedra. All Bi(1)-Bi(1) bond lengths are 3.36 Å. All Bi(1)-Bi(2) bond lengths are 3.46 Å. In the second Bi site, Bi(2) is bonded in a distorted square co-planar geometry to four equivalent Au(1) and eight equivalent Bi(1) atoms.