Ba2(CrS2)5 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one S(1), one S(3), one S(4), one S(6), one S(7), two equivalent S(2), two equivalent S(8), and two equivalent S(9) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one S(8), one S(9), two equivalent S(1), two equivalent S(4), and three equivalent S(10) atoms. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(2), one S(5), one S(6), one S(7), one S(8), and one S(9) atom to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. In the second Cr site, Cr(2) is bonded to one S(5), one S(7), two equivalent S(3), and two equivalent S(6) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the third Cr site, Cr(3) is bonded to one S(1), one S(10), one S(2), one S(4), one S(8), and one S(9) atom to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 27°. In the fourth Cr site, Cr(4) is bonded to one S(1), one S(10), one S(2), one S(4), one S(8), and one S(9) atom to form face-sharing CrS6 octahedra. In the fifth Cr site, Cr(5) is bonded to one S(3), one S(6), two equivalent S(5), and two equivalent S(7) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are ten inequivalent S sites. In the first S site, S(10) is bonded in a 5-coordinate geometry to three equivalent Ba(2), one Cr(3), and one Cr(4) atom. In the second S site, S(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Cr(3), and one Cr(4) atom. In the third S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Cr(1), one Cr(3), and one Cr(4) atom. In the fourth S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Cr(5), and two equivalent Cr(2) atoms. In the fifth S site, S(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Cr(3), and one Cr(4) atom. In the sixth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), and two equivalent Cr(5) atoms. In the seventh S site, S(6) is bonded in a 5-coordinate geometry to one Ba(1), one Cr(1), one Cr(5), and two equivalent Cr(2) atoms. In the eighth S site, S(7) is bonded in a 5-coordinate geometry to one Ba(1), one Cr(1), one Cr(2), and two equivalent Cr(5) atoms. In the ninth S site, S(8) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Cr(1), one Cr(3), and one Cr(4) atom. In the tenth S site, S(9) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Cr(1), one Cr(3), and one Cr(4) atom.
Ba2(CrS2)5 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one S(1), one S(3), one S(4), one S(6), one S(7), two equivalent S(2), two equivalent S(8), and two equivalent S(9) atoms. The Ba(1)-S(1) bond length is 3.24 Å. The Ba(1)-S(3) bond length is 3.16 Å. The Ba(1)-S(4) bond length is 3.25 Å. The Ba(1)-S(6) bond length is 3.47 Å. The Ba(1)-S(7) bond length is 3.40 Å. There is one shorter (3.40 Å) and one longer (3.43 Å) Ba(1)-S(2) bond length. There is one shorter (3.46 Å) and one longer (3.65 Å) Ba(1)-S(8) bond length. There is one shorter (3.48 Å) and one longer (3.66 Å) Ba(1)-S(9) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one S(8), one S(9), two equivalent S(1), two equivalent S(4), and three equivalent S(10) atoms. The Ba(2)-S(8) bond length is 3.57 Å. The Ba(2)-S(9) bond length is 3.55 Å. There is one shorter (3.29 Å) and one longer (3.31 Å) Ba(2)-S(1) bond length. Both Ba(2)-S(4) bond lengths are 3.30 Å. There is one shorter (3.20 Å) and two longer (3.44 Å) Ba(2)-S(10) bond lengths. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(2), one S(5), one S(6), one S(7), one S(8), and one S(9) atom to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. The Cr(1)-S(2) bond length is 2.33 Å. The Cr(1)-S(5) bond length is 2.48 Å. The Cr(1)-S(6) bond length is 2.53 Å. The Cr(1)-S(7) bond length is 2.51 Å. The Cr(1)-S(8) bond length is 2.39 Å. The Cr(1)-S(9) bond length is 2.39 Å. In the second Cr site, Cr(2) is bonded to one S(5), one S(7), two equivalent S(3), and two equivalent S(6) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. The Cr(2)-S(5) bond length is 2.39 Å. The Cr(2)-S(7) bond length is 2.42 Å. There is one shorter (2.35 Å) and one longer (2.36 Å) Cr(2)-S(3) bond length. There is one shorter (2.41 Å) and one longer (2.43 Å) Cr(2)-S(6) bond length. In the third Cr site, Cr(3) is bonded to one S(1), one S(10), one S(2), one S(4), one S(8), and one S(9) atom to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 27°. The Cr(3)-S(1) bond length is 2.40 Å. The Cr(3)-S(10) bond length is 2.35 Å. The Cr(3)-S(2) bond length is 2.43 Å. The Cr(3)-S(4) bond length is 2.40 Å. The Cr(3)-S(8) bond length is 2.46 Å. The Cr(3)-S(9) bond length is 2.45 Å. In the fourth Cr site, Cr(4) is bonded to one S(1), one S(10), one S(2), one S(4), one S(8), and one S(9) atom to form face-sharing CrS6 octahedra. The Cr(4)-S(1) bond length is 2.35 Å. The Cr(4)-S(10) bond length is 2.29 Å. The Cr(4)-S(2) bond length is 2.46 Å. The Cr(4)-S(4) bond length is 2.35 Å. The Cr(4)-S(8) bond length is 2.51 Å. The Cr(4)-S(9) bond length is 2.51 Å. In the fifth Cr site, Cr(5) is bonded to one S(3), one S(6), two equivalent S(5), and two equivalent S(7) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The Cr(5)-S(3) bond length is 2.33 Å. The Cr(5)-S(6) bond length is 2.43 Å. There is one shorter (2.36 Å) and one longer (2.43 Å) Cr(5)-S(5) bond length. There is one shorter (2.39 Å) and one longer (2.45 Å) Cr(5)-S(7) bond length. There are ten inequivalent S sites. In the first S site, S(10) is bonded in a 5-coordinate geometry to three equivalent Ba(2), one Cr(3), and one Cr(4) atom. In the second S site, S(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Cr(3), and one Cr(4) atom. In the third S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Cr(1), one Cr(3), and one Cr(4) atom. In the fourth S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Cr(5), and two equivalent Cr(2) atoms. In the fifth S site, S(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Cr(3), and one Cr(4) atom. In the sixth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), and two equivalent Cr(5) atoms. In the seventh S site, S(6) is bonded in a 5-coordinate geometry to one Ba(1), one Cr(1), one Cr(5), and two equivalent Cr(2) atoms. In the eighth S site, S(7) is bonded in a 5-coordinate geometry to one Ba(1), one Cr(1), one Cr(2), and two equivalent Cr(5) atoms. In the ninth S site, S(8) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Cr(1), one Cr(3), and one Cr(4) atom. In the tenth S site, S(9) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Cr(1), one Cr(3), and one Cr(4) atom.