Li3Au is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent Au(1) atoms. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to four equivalent Au(1) atoms. Au(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form a mixture of corner, face, and edge-sharing AuLi12 cuboctahedra.
Li3Au is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent Au(1) atoms. All Li(1)-Au(1) bond lengths are 2.78 Å. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to four equivalent Au(1) atoms. All Li(2)-Au(1) bond lengths are 2.87 Å. Au(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form a mixture of corner, face, and edge-sharing AuLi12 cuboctahedra.