LaNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to six equivalent Ni(1) and six equivalent As(1) atoms to form a mixture of edge and face-sharing LaNi6As6 cuboctahedra. In the second La site, La(2) is bonded to six equivalent Ni(1) and six equivalent As(1) atoms to form a mixture of edge and face-sharing LaNi6As6 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to three equivalent La(1), three equivalent La(2), and three equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to three equivalent La(1), three equivalent La(2), and three equivalent Ni(1) atoms.
LaNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to six equivalent Ni(1) and six equivalent As(1) atoms to form a mixture of edge and face-sharing LaNi6As6 cuboctahedra. All La(1)-Ni(1) bond lengths are 3.14 Å. All La(1)-As(1) bond lengths are 3.17 Å. In the second La site, La(2) is bonded to six equivalent Ni(1) and six equivalent As(1) atoms to form a mixture of edge and face-sharing LaNi6As6 cuboctahedra. All La(2)-Ni(1) bond lengths are 3.18 Å. All La(2)-As(1) bond lengths are 3.15 Å. Ni(1) is bonded in a 9-coordinate geometry to three equivalent La(1), three equivalent La(2), and three equivalent As(1) atoms. All Ni(1)-As(1) bond lengths are 2.40 Å. As(1) is bonded in a 9-coordinate geometry to three equivalent La(1), three equivalent La(2), and three equivalent Ni(1) atoms.