Li2NdAs2 crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to four equivalent As(1) atoms to form LiAs4 tetrahedra that share corners with six equivalent Nd(1)As6 octahedra, corners with six equivalent Li(1)As4 tetrahedra, edges with three equivalent Nd(1)As6 octahedra, and edges with three equivalent Li(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-55°. Nd(1) is bonded to six equivalent As(1) atoms to form NdAs6 octahedra that share corners with twelve equivalent Li(1)As4 tetrahedra, edges with six equivalent Nd(1)As6 octahedra, and edges with six equivalent Li(1)As4 tetrahedra. As(1) is bonded to four equivalent Li(1) and three equivalent Nd(1) atoms to form a mixture of distorted corner and edge-sharing AsLi4Nd3 pentagonal bipyramids.
Li2NdAs2 crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to four equivalent As(1) atoms to form LiAs4 tetrahedra that share corners with six equivalent Nd(1)As6 octahedra, corners with six equivalent Li(1)As4 tetrahedra, edges with three equivalent Nd(1)As6 octahedra, and edges with three equivalent Li(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-55°. There are three shorter (2.64 Å) and one longer (2.67 Å) Li(1)-As(1) bond length. Nd(1) is bonded to six equivalent As(1) atoms to form NdAs6 octahedra that share corners with twelve equivalent Li(1)As4 tetrahedra, edges with six equivalent Nd(1)As6 octahedra, and edges with six equivalent Li(1)As4 tetrahedra. All Nd(1)-As(1) bond lengths are 3.01 Å. As(1) is bonded to four equivalent Li(1) and three equivalent Nd(1) atoms to form a mixture of distorted corner and edge-sharing AsLi4Nd3 pentagonal bipyramids.