GaSn3 crystallizes in the hexagonal P6_3/mmc space group. Ga(1) is bonded to twelve equivalent Sn(1) atoms to form GaSn12 cuboctahedra that share corners with six equivalent Ga(1)Sn12 cuboctahedra, corners with twelve equivalent Sn(1)Ga4Sn8 cuboctahedra, edges with eighteen equivalent Sn(1)Ga4Sn8 cuboctahedra, faces with eight equivalent Ga(1)Sn12 cuboctahedra, and faces with twelve equivalent Sn(1)Ga4Sn8 cuboctahedra. Sn(1) is bonded to four equivalent Ga(1) and eight equivalent Sn(1) atoms to form SnGa4Sn8 cuboctahedra that share corners with four equivalent Ga(1)Sn12 cuboctahedra, corners with fourteen equivalent Sn(1)Ga4Sn8 cuboctahedra, edges with six equivalent Ga(1)Sn12 cuboctahedra, edges with twelve equivalent Sn(1)Ga4Sn8 cuboctahedra, faces with four equivalent Ga(1)Sn12 cuboctahedra, and faces with sixteen equivalent Sn(1)Ga4Sn8 cuboctahedra.
GaSn3 crystallizes in the hexagonal P6_3/mmc space group. Ga(1) is bonded to twelve equivalent Sn(1) atoms to form GaSn12 cuboctahedra that share corners with six equivalent Ga(1)Sn12 cuboctahedra, corners with twelve equivalent Sn(1)Ga4Sn8 cuboctahedra, edges with eighteen equivalent Sn(1)Ga4Sn8 cuboctahedra, faces with eight equivalent Ga(1)Sn12 cuboctahedra, and faces with twelve equivalent Sn(1)Ga4Sn8 cuboctahedra. There are six shorter (3.24 Å) and six longer (3.34 Å) Ga(1)-Sn(1) bond lengths. Sn(1) is bonded to four equivalent Ga(1) and eight equivalent Sn(1) atoms to form SnGa4Sn8 cuboctahedra that share corners with four equivalent Ga(1)Sn12 cuboctahedra, corners with fourteen equivalent Sn(1)Ga4Sn8 cuboctahedra, edges with six equivalent Ga(1)Sn12 cuboctahedra, edges with twelve equivalent Sn(1)Ga4Sn8 cuboctahedra, faces with four equivalent Ga(1)Sn12 cuboctahedra, and faces with sixteen equivalent Sn(1)Ga4Sn8 cuboctahedra. There are a spread of Sn(1)-Sn(1) bond distances ranging from 3.20-3.36 Å.