Nd2S3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one S(2), three equivalent S(1), and three equivalent S(3) atoms to form distorted edge-sharing NdS7 pentagonal bipyramids. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Nd(2) and three 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 to one Nd(1) and four equivalent Nd(2) atoms to form a mixture of distorted corner, face, and edge-sharing SNd5 square pyramids. In the third S site, S(3) is bonded to two equivalent Nd(2) and three equivalent Nd(1) atoms to form a mixture of distorted corner, face, and edge-sharing SNd5 trigonal bipyramids.
Nd2S3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one S(2), three equivalent S(1), and three equivalent S(3) atoms to form distorted edge-sharing NdS7 pentagonal bipyramids. The Nd(1)-S(2) bond length is 2.88 Å. There are two shorter (2.83 Å) and one longer (3.02 Å) Nd(1)-S(1) bond length. There are two shorter (2.87 Å) and one longer (2.96 Å) Nd(1)-S(3) bond length. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. There is one shorter (3.10 Å) and one longer (3.12 Å) Nd(2)-S(1) bond length. Both Nd(2)-S(3) bond lengths are 2.96 Å. There are two shorter (2.83 Å) and two longer (2.99 Å) Nd(2)-S(2) bond lengths. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Nd(2) and three 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 to one Nd(1) and four equivalent Nd(2) atoms to form a mixture of distorted corner, face, and edge-sharing SNd5 square pyramids. In the third S site, S(3) is bonded to two equivalent Nd(2) and three equivalent Nd(1) atoms to form a mixture of distorted corner, face, and edge-sharing SNd5 trigonal bipyramids.