NdS2 crystallizes in the tetragonal P4/nmm space group. Nd(1) is bonded in a 9-coordinate geometry to four equivalent S(2) and five equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to five equivalent Nd(1) atoms to form a mixture of distorted corner and edge-sharing SNd5 trigonal bipyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to four equivalent Nd(1) atoms.
NdS2 crystallizes in the tetragonal P4/nmm space group. Nd(1) is bonded in a 9-coordinate geometry to four equivalent S(2) and five equivalent S(1) atoms. All Nd(1)-S(2) bond lengths are 3.01 Å. There are four shorter (2.91 Å) and one longer (2.95 Å) Nd(1)-S(1) bond length. There are two inequivalent S sites. In the first S site, S(1) is bonded to five equivalent Nd(1) atoms to form a mixture of distorted corner and edge-sharing SNd5 trigonal bipyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to four equivalent Nd(1) atoms.