Cr2S3 crystallizes in the trigonal R3 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of face, corner, and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Cr site, Cr(2) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of face and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third Cr site, Cr(3) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the fourth Cr site, Cr(4) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of face, corner, and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom.
Cr2S3 crystallizes in the trigonal R3 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of face, corner, and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Cr(1)-S(1) bond lengths are 2.42 Å. All Cr(1)-S(2) bond lengths are 2.37 Å. In the second Cr site, Cr(2) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of face and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. All Cr(2)-S(1) bond lengths are 2.44 Å. All Cr(2)-S(2) bond lengths are 2.36 Å. In the third Cr site, Cr(3) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Cr(3)-S(1) bond lengths are 2.39 Å. All Cr(3)-S(2) bond lengths are 2.38 Å. In the fourth Cr site, Cr(4) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of face, corner, and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Cr(4)-S(1) bond lengths are 2.39 Å. All Cr(4)-S(2) bond lengths are 2.40 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), one Cr(3), and one Cr(4) atom.