Nb3V3AlSn is beta Uranium-derived structured and crystallizes in the trigonal R3 space group. Nb(1) is bonded in a 14-coordinate geometry to four equivalent Nb(1); six V(1,1,1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. There are five inequivalent V sites. In the first V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. In the second V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. In the third V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. In the fourth V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. In the fifth V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. Al(1) is bonded to six equivalent Nb(1) and six V(1,1,1,1,1) atoms to form AlNb6V6 cuboctahedra that share edges with six equivalent Al(1)Nb6V6 cuboctahedra and faces with eight equivalent Sn(1)Nb6V6 cuboctahedra. Sn(1) is bonded to six equivalent Nb(1) and six V(1,1,1,1) atoms to form SnNb6V6 cuboctahedra that share edges with six equivalent Sn(1)Nb6V6 cuboctahedra and faces with eight equivalent Al(1)Nb6V6 cuboctahedra.
Nb3V3AlSn is beta Uranium-derived structured and crystallizes in the trigonal R3 space group. Nb(1) is bonded in a 14-coordinate geometry to four equivalent Nb(1); six V(1,1,1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. All Nb(1)-Nb(1) bond lengths are 3.12 Å. There are a spread of Nb(1)-V(1,1,1,1,1) bond distances ranging from 2.43-3.14 Å. There is one shorter (2.81 Å) and one longer (2.84 Å) Nb(1)-Al(1) bond length. There is one shorter (2.88 Å) and one longer (2.92 Å) Nb(1)-Sn(1) bond length. There are five inequivalent V sites. In the first V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. There are two shorter (3.10 Å) and two longer (3.16 Å) V(1)-V(1,1,1) bond lengths. There is one shorter (2.82 Å) and one longer (2.83 Å) V(1)-Al(1) bond length. There is one shorter (2.83 Å) and one longer (2.87 Å) V(1)-Sn(1) bond length. In the second V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. There is one shorter (3.10 Å) and one longer (3.16 Å) V(1)-V(1,1) bond length. There is one shorter (2.82 Å) and one longer (2.83 Å) V(1)-Al(1) bond length. There is one shorter (2.83 Å) and one longer (2.87 Å) V(1)-Sn(1) bond length. In the third V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. The V(1)-V(1) bond length is 3.10 Å. There is one shorter (2.82 Å) and one longer (2.83 Å) V(1)-Al(1) bond length. There is one shorter (2.83 Å) and one longer (2.87 Å) V(1)-Sn(1) bond length. In the fourth V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. There is one shorter (3.10 Å) and one longer (3.16 Å) V(1)-V(1,1) bond length. There is one shorter (2.82 Å) and one longer (2.83 Å) V(1)-Al(1) bond length. There is one shorter (2.83 Å) and one longer (2.87 Å) V(1)-Sn(1) bond length. In the fifth V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. There is one shorter (3.10 Å) and two longer (3.16 Å) V(1)-V(1,1) bond lengths. There is one shorter (2.82 Å) and one longer (2.83 Å) V(1)-Al(1) bond length. There is one shorter (2.83 Å) and one longer (2.87 Å) V(1)-Sn(1) bond length. Al(1) is bonded to six equivalent Nb(1) and six V(1,1,1,1,1) atoms to form AlNb6V6 cuboctahedra that share edges with six equivalent Al(1)Nb6V6 cuboctahedra and faces with eight equivalent Sn(1)Nb6V6 cuboctahedra. Sn(1) is bonded to six equivalent Nb(1) and six V(1,1,1,1) atoms to form SnNb6V6 cuboctahedra that share edges with six equivalent Sn(1)Nb6V6 cuboctahedra and faces with eight equivalent Al(1)Nb6V6 cuboctahedra.