Nb6BiS8 crystallizes in the trigonal P-3 space group. Nb(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of distorted edge, corner, and face-sharing NbS6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. Bi(1) is bonded in a distorted body-centered cubic geometry to two equivalent Bi(1) and six equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 4-coordinate geometry to four equivalent Nb(1) and one Bi(1) atom. In the second S site, S(1) is bonded to six equivalent Nb(1) atoms to form distorted face-sharing SNb6 pentagonal pyramids.
Nb6BiS8 crystallizes in the trigonal P-3 space group. Nb(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of distorted edge, corner, and face-sharing NbS6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. Both Nb(1)-S(1) bond lengths are 2.58 Å. There are a spread of Nb(1)-S(2) bond distances ranging from 2.48-2.68 Å. Bi(1) is bonded in a distorted body-centered cubic geometry to two equivalent Bi(1) and six equivalent S(2) atoms. Both Bi(1)-Bi(1) bond lengths are 3.38 Å. All Bi(1)-S(2) bond lengths are 3.19 Å. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 4-coordinate geometry to four equivalent Nb(1) and one Bi(1) atom. In the second S site, S(1) is bonded to six equivalent Nb(1) atoms to form distorted face-sharing SNb6 pentagonal pyramids.