Nd5S8 is beta indium sulfide-like structured and crystallizes in the cubic F-43m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form NdS6 octahedra that share corners with three equivalent Nd(2)S4 tetrahedra and edges with six equivalent Nd(1)S6 octahedra. In the second Nd site, Nd(2) is bonded to four equivalent S(1) atoms to form corner-sharing NdS4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent Nd(1) atoms. In the second S site, S(1) is bonded to one Nd(2) and three equivalent Nd(1) atoms to form a mixture of distorted edge and corner-sharing SNd4 trigonal pyramids.
Nd5S8 is beta indium sulfide-like structured and crystallizes in the cubic F-43m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form NdS6 octahedra that share corners with three equivalent Nd(2)S4 tetrahedra and edges with six equivalent Nd(1)S6 octahedra. All Nd(1)-S(1) bond lengths are 2.91 Å. All Nd(1)-S(2) bond lengths are 2.78 Å. In the second Nd site, Nd(2) is bonded to four equivalent S(1) atoms to form corner-sharing NdS4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. All Nd(2)-S(1) bond lengths are 2.73 Å. There are two inequivalent S sites. In the first S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent Nd(1) atoms. In the second S site, S(1) is bonded to one Nd(2) and three equivalent Nd(1) atoms to form a mixture of distorted edge and corner-sharing SNd4 trigonal pyramids.