BaCoS2 crystallizes in the tetragonal P4/nmm space group. Ba(1) is bonded in a 5-coordinate geometry to five equivalent S(1) atoms. Co(1) is bonded in a 5-coordinate geometry to one S(1) and four equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to five equivalent Ba(1) and one Co(1) atom to form a mixture of distorted corner and edge-sharing SBa5Co octahedra. The corner-sharing octahedral tilt angles are 13°. In the second S site, S(2) is bonded in a 4-coordinate geometry to four equivalent Co(1) atoms.
BaCoS2 crystallizes in the tetragonal P4/nmm space group. Ba(1) is bonded in a 5-coordinate geometry to five equivalent S(1) atoms. There are four shorter (3.12 Å) and one longer (3.25 Å) Ba(1)-S(1) bond length. Co(1) is bonded in a 5-coordinate geometry to one S(1) and four equivalent S(2) atoms. The Co(1)-S(1) bond length is 2.27 Å. All Co(1)-S(2) bond lengths are 2.33 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to five equivalent Ba(1) and one Co(1) atom to form a mixture of distorted corner and edge-sharing SBa5Co octahedra. The corner-sharing octahedral tilt angles are 13°. In the second S site, S(2) is bonded in a 4-coordinate geometry to four equivalent Co(1) atoms.