ZrNi2Sb crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 14-coordinate geometry to eight equivalent Ni(1) and six equivalent Sb(1) atoms. Ni(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1), one Ni(1), and three equivalent Sb(1) atoms. Sb(1) is bonded to six equivalent Zr(1) and six equivalent Ni(1) atoms to form a mixture of distorted corner and face-sharing SbZr6Ni6 cuboctahedra.
ZrNi2Sb crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 14-coordinate geometry to eight equivalent Ni(1) and six equivalent Sb(1) atoms. There are six shorter (2.74 Å) and two longer (2.87 Å) Zr(1)-Ni(1) bond lengths. All Zr(1)-Sb(1) bond lengths are 3.19 Å. Ni(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1), one Ni(1), and three equivalent Sb(1) atoms. The Ni(1)-Ni(1) bond length is 2.55 Å. All Ni(1)-Sb(1) bond lengths are 2.55 Å. Sb(1) is bonded to six equivalent Zr(1) and six equivalent Ni(1) atoms to form a mixture of distorted corner and face-sharing SbZr6Ni6 cuboctahedra.