BaNd2CoS5 crystallizes in the tetragonal I4/mcm space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent S(2) and eight equivalent S(1) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Co(1) is bonded in a distorted tetrahedral geometry to four equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ba(1), three equivalent Nd(1), and one Co(1) atom to form distorted SBa2Nd3Co octahedra that share corners with four equivalent S(2)Ba2Nd4 octahedra, corners with ten equivalent S(1)Ba2Nd3Co octahedra, edges with eight equivalent S(1)Ba2Nd3Co octahedra, faces with two equivalent S(1)Ba2Nd3Co octahedra, and faces with two equivalent S(2)Ba2Nd4 octahedra. The corner-sharing octahedral tilt angles range from 32-63°. In the second S site, S(2) is bonded to two equivalent Ba(1) and four equivalent Nd(1) atoms to form SBa2Nd4 octahedra that share corners with six equivalent S(2)Ba2Nd4 octahedra, corners with sixteen equivalent S(1)Ba2Nd3Co octahedra, and faces with eight equivalent S(1)Ba2Nd3Co octahedra. The corner-sharing octahedral tilt angles range from 0-63°.
BaNd2CoS5 crystallizes in the tetragonal I4/mcm space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent S(2) and eight equivalent S(1) atoms. Both Ba(1)-S(2) bond lengths are 3.38 Å. All Ba(1)-S(1) bond lengths are 3.39 Å. Nd(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Both Nd(1)-S(2) bond lengths are 2.95 Å. There are two shorter (2.81 Å) and four longer (3.04 Å) Nd(1)-S(1) bond lengths. Co(1) is bonded in a distorted tetrahedral geometry to four equivalent S(1) atoms. All Co(1)-S(1) bond lengths are 2.24 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ba(1), three equivalent Nd(1), and one Co(1) atom to form distorted SBa2Nd3Co octahedra that share corners with four equivalent S(2)Ba2Nd4 octahedra, corners with ten equivalent S(1)Ba2Nd3Co octahedra, edges with eight equivalent S(1)Ba2Nd3Co octahedra, faces with two equivalent S(1)Ba2Nd3Co octahedra, and faces with two equivalent S(2)Ba2Nd4 octahedra. The corner-sharing octahedral tilt angles range from 32-63°. In the second S site, S(2) is bonded to two equivalent Ba(1) and four equivalent Nd(1) atoms to form SBa2Nd4 octahedra that share corners with six equivalent S(2)Ba2Nd4 octahedra, corners with sixteen equivalent S(1)Ba2Nd3Co octahedra, and faces with eight equivalent S(1)Ba2Nd3Co octahedra. The corner-sharing octahedral tilt angles range from 0-63°.