NdAs2 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 9-coordinate geometry to four equivalent As(1) and five equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(2) is bonded to five equivalent Nd(1) and one As(1) atom to form a mixture of distorted corner and edge-sharing AsNd5As pentagonal pyramids. In the second As site, As(1) is bonded in a 6-coordinate geometry to four equivalent Nd(1), one As(1), and one As(2) atom.
NdAs2 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 9-coordinate geometry to four equivalent As(1) and five equivalent As(2) atoms. There are a spread of Nd(1)-As(1) bond distances ranging from 3.11-3.22 Å. There are a spread of Nd(1)-As(2) bond distances ranging from 3.01-3.22 Å. There are two inequivalent As sites. In the first As site, As(2) is bonded to five equivalent Nd(1) and one As(1) atom to form a mixture of distorted corner and edge-sharing AsNd5As pentagonal pyramids. The As(2)-As(1) bond length is 2.47 Å. In the second As site, As(1) is bonded in a 6-coordinate geometry to four equivalent Nd(1), one As(1), and one As(2) atom. The As(1)-As(1) bond length is 2.50 Å.