NiAs2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. Ni(1) is bonded to six equivalent As(1) atoms to form NiAs6 octahedra that share corners with twelve equivalent Ni(1)As6 octahedra and corners with six equivalent As(1)Ni3As tetrahedra. The corner-sharing octahedral tilt angles are 63°. As(1) is bonded to three equivalent Ni(1) and one As(1) atom to form distorted AsNi3As tetrahedra that share corners with three equivalent Ni(1)As6 octahedra and corners with fifteen equivalent As(1)Ni3As tetrahedra. The corner-sharing octahedral tilt angles are 79°.
NiAs2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. Ni(1) is bonded to six equivalent As(1) atoms to form NiAs6 octahedra that share corners with twelve equivalent Ni(1)As6 octahedra and corners with six equivalent As(1)Ni3As tetrahedra. The corner-sharing octahedral tilt angles are 63°. All Ni(1)-As(1) bond lengths are 2.39 Å. As(1) is bonded to three equivalent Ni(1) and one As(1) atom to form distorted AsNi3As tetrahedra that share corners with three equivalent Ni(1)As6 octahedra and corners with fifteen equivalent As(1)Ni3As tetrahedra. The corner-sharing octahedral tilt angles are 79°. The As(1)-As(1) bond length is 2.43 Å.