Zr2NiP2 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 P(1), and three equivalent P(2) atoms. Ni(1) is bonded in a distorted trigonal planar geometry to six equivalent Zr(1) and three equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(2) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Ni(1) atoms. In the second P site, P(1) is bonded to six equivalent Zr(1) atoms to form edge-sharing PZr6 octahedra.
Zr2NiP2 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 P(1), and three equivalent P(2) atoms. All Zr(1)-Ni(1) bond lengths are 2.84 Å. All Zr(1)-P(1) bond lengths are 2.60 Å. All Zr(1)-P(2) bond lengths are 2.84 Å. Ni(1) is bonded in a distorted trigonal planar geometry to six equivalent Zr(1) and three equivalent P(2) atoms. All Ni(1)-P(2) bond lengths are 2.17 Å. There are two inequivalent P sites. In the first P site, P(2) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Ni(1) atoms. In the second P site, P(1) is bonded to six equivalent Zr(1) atoms to form edge-sharing PZr6 octahedra.