Cr2S3 crystallizes in the trigonal R-3 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to six equivalent S(1) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Cr site, Cr(2) is bonded to six equivalent S(1) atoms to form a mixture of corner and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. In the third Cr site, Cr(3) is bonded to six equivalent S(1) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 44°. S(1) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(3), and two equivalent Cr(1) atoms.
Cr2S3 crystallizes in the trigonal R-3 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to six equivalent S(1) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three shorter (2.39 Å) and three longer (2.43 Å) Cr(1)-S(1) bond lengths. In the second Cr site, Cr(2) is bonded to six equivalent S(1) atoms to form a mixture of corner and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. All Cr(2)-S(1) bond lengths are 2.42 Å. In the third Cr site, Cr(3) is bonded to six equivalent S(1) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Cr(3)-S(1) bond lengths are 2.41 Å. S(1) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(3), and two equivalent Cr(1) atoms.