Cr4(SeS)3 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 Se(1) and three equivalent S(1) atoms to form a mixture of corner and edge-sharing CrSe3S3 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. In the second Cr site, Cr(2) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form a mixture of face and corner-sharing CrSe3S3 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the third Cr site, Cr(3) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form a mixture of face, corner, and edge-sharing CrSe3S3 octahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth Cr site, Cr(4) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form a mixture of face, corner, and edge-sharing CrSe3S3 octahedra. The corner-sharing octahedral tilt angles are 48°. Se(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. 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.
Cr4(SeS)3 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 Se(1) and three equivalent S(1) atoms to form a mixture of corner and edge-sharing CrSe3S3 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. All Cr(1)-Se(1) bond lengths are 2.52 Å. All Cr(1)-S(1) bond lengths are 2.41 Å. In the second Cr site, Cr(2) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form a mixture of face and corner-sharing CrSe3S3 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. All Cr(2)-Se(1) bond lengths are 2.56 Å. All Cr(2)-S(1) bond lengths are 2.36 Å. In the third Cr site, Cr(3) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form a mixture of face, corner, and edge-sharing CrSe3S3 octahedra. The corner-sharing octahedral tilt angles are 50°. All Cr(3)-Se(1) bond lengths are 2.54 Å. All Cr(3)-S(1) bond lengths are 2.42 Å. In the fourth Cr site, Cr(4) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form a mixture of face, corner, and edge-sharing CrSe3S3 octahedra. The corner-sharing octahedral tilt angles are 48°. All Cr(4)-Se(1) bond lengths are 2.52 Å. All Cr(4)-S(1) bond lengths are 2.35 Å. Se(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. 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.