Ba(Cr5S8)2 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent S(1), two equivalent S(5), two equivalent S(6), two equivalent S(7), and two equivalent S(8) atoms. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(2), one S(4), one S(5), one S(6), and two equivalent S(3) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Cr site, Cr(2) is bonded to one S(1), one S(3), one S(5), one S(6), and two equivalent S(4) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Cr site, Cr(3) is bonded to one S(1), one S(3), one S(4), one S(7), and two equivalent S(8) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the fourth Cr site, Cr(4) is bonded to one S(2), one S(3), one S(4), one S(8), and two equivalent S(7) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the fifth Cr site, Cr(5) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the sixth Cr site, Cr(6) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(6) atoms to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Cr(2), one Cr(3), one Cr(5), and one Cr(6) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(4), one Cr(5), and one Cr(6) atom. In the third S site, S(3) is bonded to one Cr(2), one Cr(3), one Cr(4), and two equivalent Cr(1) atoms to form distorted edge-sharing SCr5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Cr(1), one Cr(3), one Cr(4), and two equivalent Cr(2) atoms to form distorted edge-sharing SCr5 trigonal bipyramids. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Cr(1), one Cr(2), and one Cr(5) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Cr(1), one Cr(2), and one Cr(6) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Cr(3), and two equivalent Cr(4) atoms. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Cr(4), and two equivalent Cr(3) atoms.
Ba(Cr5S8)2 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent S(1), two equivalent S(5), two equivalent S(6), two equivalent S(7), and two equivalent S(8) atoms. Both Ba(1)-S(1) bond lengths are 3.58 Å. Both Ba(1)-S(5) bond lengths are 3.31 Å. Both Ba(1)-S(6) bond lengths are 3.29 Å. Both Ba(1)-S(7) bond lengths are 3.54 Å. Both Ba(1)-S(8) bond lengths are 3.49 Å. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(2), one S(4), one S(5), one S(6), and two equivalent S(3) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. The Cr(1)-S(2) bond length is 2.35 Å. The Cr(1)-S(4) bond length is 2.50 Å. The Cr(1)-S(5) bond length is 2.35 Å. The Cr(1)-S(6) bond length is 2.36 Å. There is one shorter (2.43 Å) and one longer (2.50 Å) Cr(1)-S(3) bond length. In the second Cr site, Cr(2) is bonded to one S(1), one S(3), one S(5), one S(6), and two equivalent S(4) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 50°. The Cr(2)-S(1) bond length is 2.38 Å. The Cr(2)-S(3) bond length is 2.50 Å. The Cr(2)-S(5) bond length is 2.35 Å. The Cr(2)-S(6) bond length is 2.35 Å. There is one shorter (2.44 Å) and one longer (2.50 Å) Cr(2)-S(4) bond length. In the third Cr site, Cr(3) is bonded to one S(1), one S(3), one S(4), one S(7), and two equivalent S(8) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. The Cr(3)-S(1) bond length is 2.45 Å. The Cr(3)-S(3) bond length is 2.47 Å. The Cr(3)-S(4) bond length is 2.48 Å. The Cr(3)-S(7) bond length is 2.36 Å. There is one shorter (2.35 Å) and one longer (2.37 Å) Cr(3)-S(8) bond length. In the fourth Cr site, Cr(4) is bonded to one S(2), one S(3), one S(4), one S(8), and two equivalent S(7) atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. The Cr(4)-S(2) bond length is 2.42 Å. The Cr(4)-S(3) bond length is 2.48 Å. The Cr(4)-S(4) bond length is 2.51 Å. The Cr(4)-S(8) bond length is 2.37 Å. There is one shorter (2.36 Å) and one longer (2.37 Å) Cr(4)-S(7) bond length. In the fifth Cr site, Cr(5) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. Both Cr(5)-S(1) bond lengths are 2.37 Å. Both Cr(5)-S(2) bond lengths are 2.36 Å. Both Cr(5)-S(5) bond lengths are 2.41 Å. In the sixth Cr site, Cr(6) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(6) atoms to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 48°. Both Cr(6)-S(1) bond lengths are 2.38 Å. Both Cr(6)-S(2) bond lengths are 2.36 Å. Both Cr(6)-S(6) bond lengths are 2.41 Å. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Cr(2), one Cr(3), one Cr(5), and one Cr(6) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(4), one Cr(5), and one Cr(6) atom. In the third S site, S(3) is bonded to one Cr(2), one Cr(3), one Cr(4), and two equivalent Cr(1) atoms to form distorted edge-sharing SCr5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Cr(1), one Cr(3), one Cr(4), and two equivalent Cr(2) atoms to form distorted edge-sharing SCr5 trigonal bipyramids. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Cr(1), one Cr(2), and one Cr(5) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Cr(1), one Cr(2), and one Cr(6) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Cr(3), and two equivalent Cr(4) atoms. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Cr(4), and two equivalent Cr(3) atoms.