ScFe3 crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to twelve Fe(1,1) atoms to form a mixture of face and corner-sharing ScFe12 cuboctahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to four equivalent Sc(1) and eight Fe(1,1) atoms. In the second Fe site, Fe(1) is bonded in a 12-coordinate geometry to four equivalent Sc(1) and eight equivalent Fe(1) atoms.
ScFe3 crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to twelve Fe(1,1) atoms to form a mixture of face and corner-sharing ScFe12 cuboctahedra. There are six shorter (2.75 Å) and six longer (2.80 Å) Sc(1)-Fe(1,1) bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to four equivalent Sc(1) and eight Fe(1,1) atoms. There are a spread of Fe(1)-Fe(1,1) bond distances ranging from 2.44-3.05 Å. In the second Fe site, Fe(1) is bonded in a 12-coordinate geometry to four equivalent Sc(1) and eight equivalent Fe(1) atoms.