NdAs3 crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded to four equivalent As(2) and eight equivalent As(1) atoms to form a mixture of edge, corner, and face-sharing NdAs12 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent As(1) atoms. In the second As site, As(2) is bonded in a square co-planar geometry to four equivalent Nd(1) atoms.
NdAs3 crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded to four equivalent As(2) and eight equivalent As(1) atoms to form a mixture of edge, corner, and face-sharing NdAs12 cuboctahedra. All Nd(1)-As(2) bond lengths are 2.96 Å. All Nd(1)-As(1) bond lengths are 3.28 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent As(1) atoms. All As(1)-As(1) bond lengths are 2.96 Å. In the second As site, As(2) is bonded in a square co-planar geometry to four equivalent Nd(1) atoms.