CrFe3Sb4 crystallizes in the trigonal P-3m1 space group. Cr(1) is bonded in a 8-coordinate geometry to two equivalent Fe(2) and six equivalent Sb(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(2) and six equivalent Sb(2) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to one Cr(1), one Fe(1), three equivalent Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to three equivalent Cr(1) and three equivalent Fe(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and three equivalent Fe(2) atoms.
CrFe3Sb4 crystallizes in the trigonal P-3m1 space group. Cr(1) is bonded in a 8-coordinate geometry to two equivalent Fe(2) and six equivalent Sb(1) atoms. Both Cr(1)-Fe(2) bond lengths are 2.71 Å. All Cr(1)-Sb(1) bond lengths are 2.73 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(2) and six equivalent Sb(2) atoms. Both Fe(1)-Fe(2) bond lengths are 2.49 Å. All Fe(1)-Sb(2) bond lengths are 2.64 Å. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to one Cr(1), one Fe(1), three equivalent Sb(1), and three equivalent Sb(2) atoms. All Fe(2)-Sb(1) bond lengths are 2.62 Å. All Fe(2)-Sb(2) bond lengths are 2.60 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to three equivalent Cr(1) and three equivalent Fe(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and three equivalent Fe(2) atoms.