ZrCr3Al crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded to twelve equivalent Cr(1) atoms to form a mixture of distorted face and corner-sharing ZrCr12 cuboctahedra. Cr(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1), two equivalent Cr(1), and two equivalent Al(1) atoms. Al(1) is bonded in a 8-coordinate geometry to six equivalent Cr(1) and two equivalent Al(1) atoms.
ZrCr3Al crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded to twelve equivalent Cr(1) atoms to form a mixture of distorted face and corner-sharing ZrCr12 cuboctahedra. There are six shorter (2.93 Å) and six longer (2.98 Å) Zr(1)-Cr(1) bond lengths. Cr(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1), two equivalent Cr(1), and two equivalent Al(1) atoms. Both Cr(1)-Cr(1) bond lengths are 2.22 Å. Both Cr(1)-Al(1) bond lengths are 2.50 Å. Al(1) is bonded in a 8-coordinate geometry to six equivalent Cr(1) and two equivalent Al(1) atoms. Both Al(1)-Al(1) bond lengths are 2.64 Å.