Ni3Sn4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to two equivalent Ni(2), two equivalent Sn(2), and four equivalent Sn(1) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Ni(1), two equivalent Ni(2), three equivalent Sn(1), and four equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to two equivalent Ni(1), three equivalent Ni(2), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to one Ni(1) and four equivalent Ni(2) atoms.
Ni3Sn4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to two equivalent Ni(2), two equivalent Sn(2), and four equivalent Sn(1) atoms. Both Ni(1)-Ni(2) bond lengths are 2.76 Å. Both Ni(1)-Sn(2) bond lengths are 2.54 Å. All Ni(1)-Sn(1) bond lengths are 2.61 Å. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Ni(1), two equivalent Ni(2), three equivalent Sn(1), and four equivalent Sn(2) atoms. Both Ni(2)-Ni(2) bond lengths are 2.64 Å. There are two shorter (2.66 Å) and one longer (2.75 Å) Ni(2)-Sn(1) bond length. There are a spread of Ni(2)-Sn(2) bond distances ranging from 2.63-2.67 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to two equivalent Ni(1), three equivalent Ni(2), and one Sn(1) atom. The Sn(1)-Sn(1) bond length is 2.95 Å. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to one Ni(1) and four equivalent Ni(2) atoms.