Fe3Sn crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to one Fe(1), four equivalent Fe(2), and four equivalent Sn(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted q6 geometry to eight equivalent Fe(1) and two equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to two equivalent Fe(2) and eight equivalent Fe(1) atoms.
Fe3Sn crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to one Fe(1), four equivalent Fe(2), and four equivalent Sn(1) atoms. The Fe(1)-Fe(1) bond length is 2.42 Å. All Fe(1)-Fe(2) bond lengths are 2.56 Å. All Fe(1)-Sn(1) bond lengths are 2.77 Å. In the second Fe site, Fe(2) is bonded in a distorted q6 geometry to eight equivalent Fe(1) and two equivalent Sn(1) atoms. Both Fe(2)-Sn(1) bond lengths are 2.82 Å. Sn(1) is bonded in a 10-coordinate geometry to two equivalent Fe(2) and eight equivalent Fe(1) atoms.