Hf5Sn4 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to six equivalent Sn(2) atoms. In the second Hf site, Hf(2) is bonded to two equivalent Sn(1) and five equivalent Sn(2) atoms to form a mixture of distorted face, corner, and edge-sharing HfSn7 pentagonal bipyramids. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six equivalent Hf(2) atoms to form distorted face-sharing SnHf6 octahedra. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to four equivalent Hf(1) and five equivalent Hf(2) atoms.
Hf5Sn4 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to six equivalent Sn(2) atoms. All Hf(1)-Sn(2) bond lengths are 3.08 Å. In the second Hf site, Hf(2) is bonded to two equivalent Sn(1) and five equivalent Sn(2) atoms to form a mixture of distorted face, corner, and edge-sharing HfSn7 pentagonal bipyramids. Both Hf(2)-Sn(1) bond lengths are 2.86 Å. There are a spread of Hf(2)-Sn(2) bond distances ranging from 2.89-3.08 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six equivalent Hf(2) atoms to form distorted face-sharing SnHf6 octahedra. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to four equivalent Hf(1) and five equivalent Hf(2) atoms.