Zr2NiAs2 crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 9-coordinate geometry to three equivalent Ni(1), three equivalent As(1), and three equivalent As(2) atoms. Ni(1) is bonded in a distorted trigonal planar geometry to six equivalent Zr(1) and three equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Ni(1) atoms. In the second As site, As(2) is bonded to six equivalent Zr(1) atoms to form edge-sharing AsZr6 octahedra.
Zr2NiAs2 crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 9-coordinate geometry to three equivalent Ni(1), three equivalent As(1), and three equivalent As(2) atoms. All Zr(1)-Ni(1) bond lengths are 2.90 Å. All Zr(1)-As(1) bond lengths are 2.90 Å. All Zr(1)-As(2) bond lengths are 2.70 Å. Ni(1) is bonded in a distorted trigonal planar geometry to six equivalent Zr(1) and three equivalent As(1) atoms. All Ni(1)-As(1) bond lengths are 2.26 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Ni(1) atoms. In the second As site, As(2) is bonded to six equivalent Zr(1) atoms to form edge-sharing AsZr6 octahedra.