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FeSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe is bonded in a distorted body-centered cubic geometry to two equivalent Fe and six equivalent Sn atoms. Both Fe–Fe bond lengths are 2.56 Å. All Fe–Sn bond lengths are 2.68 Å. Sn is bonded in a 6-coordinate geometry to six equivalent Fe atoms.
Fe3Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to eight Fe and four equivalent Sn atoms to form distorted FeFe8Sn4 cuboctahedra that share corners with four equivalent SnFe12 cuboctahedra, corners with fourteen FeFe8Sn4 cuboctahedra, edges with six equivalent SnFe12 cuboctahedra, edges with twelve FeFe8Sn4 cuboctahedra, faces with four equivalent SnFe12 cuboctahedra, and faces with sixteen FeFe8Sn4 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.48–3.00 Å. There are two shorter (2.75 Å) and two longer (2.77 Å) Fe–Sn bond lengths. In the second Fe site, Fe is bonded to eight equivalent Fe and four equivalent Sn atoms to form distorted FeFe8Sn4 cuboctahedra that share corners with four equivalent SnFe12 cuboctahedra, corners with fourteen FeFe8Sn4 cuboctahedra, edges with six equivalent SnFe12 cuboctahedra, edges with twelve equivalent FeFe8Sn4 cuboctahedra, faces with four equivalent SnFe12 cuboctahedra, and faces with sixteen FeFe8Sn4 cuboctahedra. There are two shorter (2.75 Å) and two longer (2.77 Å) Fe–Sn bond lengths. Sn is bonded to twelve Fe atoms to form SnFe12 cuboctahedra that share corners with six equivalent SnFe12 cuboctahedra, corners with twelve FeFe8Sn4 cuboctahedra, edges with eighteen FeFe8Sn4 cuboctahedra, faces with eight equivalent SnFe12 cuboctahedra, and faces with twelve FeFe8Sn4 cuboctahedra.
FeSn crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Fe is bonded in a 10-coordinate geometry to four equivalent Fe and six Sn atoms. All Fe–Fe bond lengths are 2.65 Å. There are two shorter (2.65 Å) and four longer (2.71 Å) Fe–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a hexagonal planar geometry to six equivalent Fe atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Fe atoms.
Fe3Sn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded to eight equivalent Fe and four equivalent Sn atoms to form FeFe8Sn4 cuboctahedra that share corners with twelve equivalent FeFe8Sn4 cuboctahedra, edges with eight equivalent SnFe12 cuboctahedra, edges with sixteen equivalent FeFe8Sn4 cuboctahedra, faces with four equivalent SnFe12 cuboctahedra, and faces with fourteen equivalent FeFe8Sn4 cuboctahedra. All Fe–Fe bond lengths are 2.70 Å. All Fe–Sn bond lengths are 2.70 Å. Sn is bonded to twelve equivalent Fe atoms to form SnFe12 cuboctahedra that share corners with twelve equivalent SnFe12 cuboctahedra, edges with twenty-four equivalent FeFe8Sn4 cuboctahedra, faces with six equivalent SnFe12 cuboctahedra, and faces with twelve equivalent FeFe8Sn4 cuboctahedra.
FeSn2 is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Fe is bonded in a 10-coordinate geometry to two equivalent Fe and eight equivalent Sn atoms. Both Fe–Fe bond lengths are 2.67 Å. All Fe–Sn bond lengths are 2.81 Å. Sn is bonded in a 4-coordinate geometry to four equivalent Fe atoms.
Fe3Sn2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Fe is bonded in a 11-coordinate geometry to six equivalent Fe and five Sn atoms. There are a spread of Fe–Fe bond distances ranging from 2.55–2.78 Å. There are a spread of Fe–Sn bond distances ranging from 2.67–2.78 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted q6 geometry to nine equivalent Fe atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Fe atoms.
Fe2Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to eight Fe and six equivalent Sn atoms. There are two shorter (2.63 Å) and six longer (2.87 Å) Fe–Fe bond lengths. All Fe–Sn bond lengths are 2.87 Å. In the second Fe site, Fe is bonded to six equivalent Fe and five equivalent Sn atoms to form a mixture of distorted corner and face-sharing FeFe6Sn5 trigonal bipyramids. There are three shorter (2.55 Å) and two longer (2.63 Å) Fe–Sn bond lengths. Sn is bonded in a 5-coordinate geometry to eleven Fe atoms.