Fe3Rh is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent Fe(2) and four equivalent Rh(1) atoms to form a mixture of distorted edge, corner, and face-sharing FeFe4Rh4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to eight equivalent Fe(1) and six equivalent Rh(1) atoms. Rh(1) is bonded in a distorted body-centered cubic geometry to six equivalent Fe(2) and eight equivalent Fe(1) atoms.
Fe3Rh is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent Fe(2) and four equivalent Rh(1) atoms to form a mixture of distorted edge, corner, and face-sharing FeFe4Rh4 tetrahedra. All Fe(1)-Fe(2) bond lengths are 2.54 Å. All Fe(1)-Rh(1) bond lengths are 2.54 Å. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to eight equivalent Fe(1) and six equivalent Rh(1) atoms. All Fe(2)-Rh(1) bond lengths are 2.93 Å. Rh(1) is bonded in a distorted body-centered cubic geometry to six equivalent Fe(2) and eight equivalent Fe(1) atoms.