V2Cr2Fe crystallizes in the orthorhombic Fmm2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 8-coordinate geometry to two equivalent V(2), four equivalent V(1), and two equivalent Cr(2) atoms. In the second V site, V(2) is bonded in a 2-coordinate geometry to two equivalent V(1) and two equivalent Fe(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to two equivalent Cr(2) and two equivalent Fe(1) atoms. In the second Cr site, Cr(2) is bonded in a distorted body-centered cubic geometry to two equivalent V(1), two equivalent Cr(1), and four equivalent Cr(2) atoms. Fe(1) is bonded in a 4-coordinate geometry to two equivalent V(2) and two equivalent Cr(1) atoms.
V2Cr2Fe crystallizes in the orthorhombic Fmm2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 8-coordinate geometry to two equivalent V(2), four equivalent V(1), and two equivalent Cr(2) atoms. Both V(1)-V(2) bond lengths are 2.63 Å. All V(1)-V(1) bond lengths are 2.51 Å. Both V(1)-Cr(2) bond lengths are 2.54 Å. In the second V site, V(2) is bonded in a 2-coordinate geometry to two equivalent V(1) and two equivalent Fe(1) atoms. Both V(2)-Fe(1) bond lengths are 2.51 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to two equivalent Cr(2) and two equivalent Fe(1) atoms. Both Cr(1)-Cr(2) bond lengths are 2.45 Å. Both Cr(1)-Fe(1) bond lengths are 2.46 Å. In the second Cr site, Cr(2) is bonded in a distorted body-centered cubic geometry to two equivalent V(1), two equivalent Cr(1), and four equivalent Cr(2) atoms. All Cr(2)-Cr(2) bond lengths are 2.51 Å. Fe(1) is bonded in a 4-coordinate geometry to two equivalent V(2) and two equivalent Cr(1) atoms.