CrFe4 crystallizes in the orthorhombic Fmmm space group. Cr(1) is bonded in a 8-coordinate geometry to four equivalent Cr(1) and four equivalent Fe(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to two equivalent Cr(1) and two equivalent Fe(2) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(1) and six equivalent Fe(2) atoms.
CrFe4 crystallizes in the orthorhombic Fmmm space group. Cr(1) is bonded in a 8-coordinate geometry to four equivalent Cr(1) and four equivalent Fe(1) atoms. All Cr(1)-Cr(1) bond lengths are 2.45 Å. All Cr(1)-Fe(1) bond lengths are 2.46 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to two equivalent Cr(1) and two equivalent Fe(2) atoms. Both Fe(1)-Fe(2) bond lengths are 2.47 Å. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(1) and six equivalent Fe(2) atoms. There are four shorter (2.45 Å) and two longer (2.47 Å) Fe(2)-Fe(2) bond lengths.