K2(NbS2)3 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent S(3) and four equivalent S(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(2) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form distorted edge-sharing NbS6 pentagonal pyramids. In the second Nb site, Nb(2) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form distorted edge-sharing NbS6 pentagonal pyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(2), one Nb(2), and two equivalent Nb(1) atoms to form a mixture of distorted face, corner, and edge-sharing SK2Nb3 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent K(2), one Nb(2), and two equivalent Nb(1) atoms to form a mixture of distorted face, corner, and edge-sharing SK2Nb3 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent K(1), one Nb(2), and two equivalent Nb(1) atoms to form a mixture of distorted face, corner, and edge-sharing SK2Nb3 square pyramids. In the fourth S site, S(4) is bonded to two equivalent K(1), one Nb(2), and two equivalent Nb(1) atoms to form a mixture of distorted face, corner, and edge-sharing SK2Nb3 square pyramids.
K2(NbS2)3 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent S(3) and four equivalent S(4) atoms. Both K(1)-S(3) bond lengths are 3.11 Å. All K(1)-S(4) bond lengths are 3.11 Å. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(2) atoms. Both K(2)-S(1) bond lengths are 3.13 Å. All K(2)-S(2) bond lengths are 3.13 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form distorted edge-sharing NbS6 pentagonal pyramids. The Nb(1)-S(1) bond length is 2.51 Å. The Nb(1)-S(3) bond length is 2.50 Å. Both Nb(1)-S(2) bond lengths are 2.51 Å. There is one shorter (2.50 Å) and one longer (2.51 Å) Nb(1)-S(4) bond length. In the second Nb site, Nb(2) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form distorted edge-sharing NbS6 pentagonal pyramids. The Nb(2)-S(1) bond length is 2.50 Å. The Nb(2)-S(3) bond length is 2.51 Å. Both Nb(2)-S(2) bond lengths are 2.50 Å. Both Nb(2)-S(4) bond lengths are 2.50 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent K(2), one Nb(2), and two equivalent Nb(1) atoms to form a mixture of distorted face, corner, and edge-sharing SK2Nb3 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent K(2), one Nb(2), and two equivalent Nb(1) atoms to form a mixture of distorted face, corner, and edge-sharing SK2Nb3 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent K(1), one Nb(2), and two equivalent Nb(1) atoms to form a mixture of distorted face, corner, and edge-sharing SK2Nb3 square pyramids. In the fourth S site, S(4) is bonded to two equivalent K(1), one Nb(2), and two equivalent Nb(1) atoms to form a mixture of distorted face, corner, and edge-sharing SK2Nb3 square pyramids.