Ga3Sn is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ga(2) and four equivalent Sn(1) atoms. In the second Ga site, Ga(2) is bonded to eight equivalent Ga(1) and four equivalent Sn(1) atoms to form GaGa8Sn4 cuboctahedra that share corners with four equivalent Ga(2)Ga8Sn4 cuboctahedra, corners with eight equivalent Sn(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Ga8Sn4 cuboctahedra, faces with four equivalent Ga(2)Ga8Sn4 cuboctahedra, and faces with six equivalent Sn(1)Ga12 cuboctahedra. Sn(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form SnGa12 cuboctahedra that share corners with four equivalent Sn(1)Ga12 cuboctahedra, corners with eight equivalent Ga(2)Ga8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Ga12 cuboctahedra, faces with four equivalent Sn(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Ga8Sn4 cuboctahedra.
Ga3Sn is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ga(2) and four equivalent Sn(1) atoms. All Ga(1)-Ga(2) bond lengths are 3.02 Å. All Ga(1)-Sn(1) bond lengths are 3.02 Å. In the second Ga site, Ga(2) is bonded to eight equivalent Ga(1) and four equivalent Sn(1) atoms to form GaGa8Sn4 cuboctahedra that share corners with four equivalent Ga(2)Ga8Sn4 cuboctahedra, corners with eight equivalent Sn(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Ga8Sn4 cuboctahedra, faces with four equivalent Ga(2)Ga8Sn4 cuboctahedra, and faces with six equivalent Sn(1)Ga12 cuboctahedra. All Ga(2)-Sn(1) bond lengths are 3.22 Å. Sn(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form SnGa12 cuboctahedra that share corners with four equivalent Sn(1)Ga12 cuboctahedra, corners with eight equivalent Ga(2)Ga8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Ga12 cuboctahedra, faces with four equivalent Sn(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Ga8Sn4 cuboctahedra.