LuNiP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to six equivalent Ni(1) and six equivalent P(1) atoms to form a mixture of edge and face-sharing LuNi6P6 cuboctahedra. In the second Lu site, Lu(2) is bonded to six equivalent Ni(1) and six equivalent P(1) atoms to form a mixture of edge and face-sharing LuNi6P6 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), and three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), and three equivalent Ni(1) atoms.
LuNiP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to six equivalent Ni(1) and six equivalent P(1) atoms to form a mixture of edge and face-sharing LuNi6P6 cuboctahedra. All Lu(1)-Ni(1) bond lengths are 2.95 Å. All Lu(1)-P(1) bond lengths are 2.86 Å. In the second Lu site, Lu(2) is bonded to six equivalent Ni(1) and six equivalent P(1) atoms to form a mixture of edge and face-sharing LuNi6P6 cuboctahedra. All Lu(2)-Ni(1) bond lengths are 2.84 Å. All Lu(2)-P(1) bond lengths are 2.93 Å. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), and three equivalent P(1) atoms. All Ni(1)-P(1) bond lengths are 2.22 Å. P(1) is bonded in a 9-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), and three equivalent Ni(1) atoms.