NbCr3S8 is trigonal omega-derived structured and crystallizes in the triclinic P-1 space group. Nb(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form NbS6 octahedra that share edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms to form CrS6 octahedra that share edges with two equivalent Nb(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms to form CrS6 octahedra that share edges with two equivalent Nb(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms to form CrS6 octahedra that share edges with two equivalent Nb(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Nb(1), one Cr(2), and one Cr(3) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Nb(1), one Cr(1), and one Cr(3) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Nb(1), one Cr(1), and one Cr(2) atom. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(3) atom.
NbCr3S8 is trigonal omega-derived structured and crystallizes in the triclinic P-1 space group. Nb(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form NbS6 octahedra that share edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. Both Nb(1)-S(1) bond lengths are 2.47 Å. Both Nb(1)-S(2) bond lengths are 2.47 Å. Both Nb(1)-S(3) bond lengths are 2.47 Å. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms to form CrS6 octahedra that share edges with two equivalent Nb(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. Both Cr(1)-S(2) bond lengths are 2.39 Å. Both Cr(1)-S(3) bond lengths are 2.39 Å. Both Cr(1)-S(4) bond lengths are 2.37 Å. In the second Cr site, Cr(2) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms to form CrS6 octahedra that share edges with two equivalent Nb(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. Both Cr(2)-S(1) bond lengths are 2.39 Å. Both Cr(2)-S(3) bond lengths are 2.39 Å. Both Cr(2)-S(4) bond lengths are 2.37 Å. In the third Cr site, Cr(3) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms to form CrS6 octahedra that share edges with two equivalent Nb(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. Both Cr(3)-S(1) bond lengths are 2.39 Å. Both Cr(3)-S(2) bond lengths are 2.39 Å. Both Cr(3)-S(4) bond lengths are 2.37 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Nb(1), one Cr(2), and one Cr(3) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Nb(1), one Cr(1), and one Cr(3) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Nb(1), one Cr(1), and one Cr(2) atom. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(3) atom.