NdNiP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to six equivalent Ni(1) and six equivalent P(1) atoms to form a mixture of edge and face-sharing NdNi6P6 cuboctahedra. In the second Nd site, Nd(2) is bonded to six equivalent Ni(1) and six equivalent P(1) atoms to form a mixture of edge and face-sharing NdNi6P6 cuboctahedra. Ni(1) is bonded in a distorted trigonal planar geometry to three equivalent Nd(1), three equivalent Nd(2), and three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to three equivalent Nd(1), three equivalent Nd(2), and three equivalent Ni(1) atoms.
NdNiP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to six equivalent Ni(1) and six equivalent P(1) atoms to form a mixture of edge and face-sharing NdNi6P6 cuboctahedra. All Nd(1)-Ni(1) bond lengths are 3.05 Å. All Nd(1)-P(1) bond lengths are 3.05 Å. In the second Nd site, Nd(2) is bonded to six equivalent Ni(1) and six equivalent P(1) atoms to form a mixture of edge and face-sharing NdNi6P6 cuboctahedra. All Nd(2)-Ni(1) bond lengths are 3.05 Å. All Nd(2)-P(1) bond lengths are 3.05 Å. Ni(1) is bonded in a distorted trigonal planar geometry to three equivalent Nd(1), three equivalent Nd(2), and three equivalent P(1) atoms. All Ni(1)-P(1) bond lengths are 2.28 Å. P(1) is bonded in a 9-coordinate geometry to three equivalent Nd(1), three equivalent Nd(2), and three equivalent Ni(1) atoms.