KCu2SbS3 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(5), two equivalent S(4), and two equivalent S(6) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one S(2), one S(4), one S(6), two equivalent S(1), and two equivalent S(5) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Sb(2), one S(1), one S(5), and one S(6) atom. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Sb(1), one S(2), one S(3), and one S(4) atom. In the third Cu site, Cu(3) is bonded to one S(4), one S(6), and two equivalent S(3) atoms to form edge-sharing CuS4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to one S(1), one S(5), and two equivalent S(2) atoms to form distorted edge-sharing CuS4 tetrahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Cu(2), one S(4), one S(5), and one S(6) atom. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one Cu(1), one S(1), one S(2), and one S(3) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(2), one Cu(1), one Cu(4), and one Sb(2) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one K(2), one Cu(2), two equivalent Cu(4), and one Sb(2) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one K(1), one Cu(2), two equivalent Cu(3), and one Sb(2) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), one Cu(2), one Cu(3), and one Sb(1) atom. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(2), one Cu(1), one Cu(4), and one Sb(1) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), one Cu(1), one Cu(3), and one Sb(1) atom.
KCu2SbS3 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(5), two equivalent S(4), and two equivalent S(6) atoms. The K(1)-S(1) bond length is 3.58 Å. The K(1)-S(3) bond length is 3.27 Å. The K(1)-S(5) bond length is 3.38 Å. There is one shorter (3.23 Å) and one longer (3.31 Å) K(1)-S(4) bond length. There is one shorter (3.22 Å) and one longer (3.39 Å) K(1)-S(6) bond length. In the second K site, K(2) is bonded in a 6-coordinate geometry to one S(2), one S(4), one S(6), two equivalent S(1), and two equivalent S(5) atoms. The K(2)-S(2) bond length is 3.24 Å. The K(2)-S(4) bond length is 3.71 Å. The K(2)-S(6) bond length is 3.33 Å. There is one shorter (3.38 Å) and one longer (3.47 Å) K(2)-S(1) bond length. There is one shorter (3.28 Å) and one longer (3.31 Å) K(2)-S(5) bond length. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Sb(2), one S(1), one S(5), and one S(6) atom. The Cu(1)-Sb(2) bond length is 2.82 Å. The Cu(1)-S(1) bond length is 2.30 Å. The Cu(1)-S(5) bond length is 2.30 Å. The Cu(1)-S(6) bond length is 2.29 Å. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Sb(1), one S(2), one S(3), and one S(4) atom. The Cu(2)-Sb(1) bond length is 2.74 Å. The Cu(2)-S(2) bond length is 2.28 Å. The Cu(2)-S(3) bond length is 2.33 Å. The Cu(2)-S(4) bond length is 2.28 Å. In the third Cu site, Cu(3) is bonded to one S(4), one S(6), and two equivalent S(3) atoms to form edge-sharing CuS4 tetrahedra. The Cu(3)-S(4) bond length is 2.32 Å. The Cu(3)-S(6) bond length is 2.35 Å. There is one shorter (2.38 Å) and one longer (2.40 Å) Cu(3)-S(3) bond length. In the fourth Cu site, Cu(4) is bonded to one S(1), one S(5), and two equivalent S(2) atoms to form distorted edge-sharing CuS4 tetrahedra. The Cu(4)-S(1) bond length is 2.34 Å. The Cu(4)-S(5) bond length is 2.32 Å. There is one shorter (2.37 Å) and one longer (2.48 Å) Cu(4)-S(2) bond length. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Cu(2), one S(4), one S(5), and one S(6) atom. The Sb(1)-S(4) bond length is 2.53 Å. The Sb(1)-S(5) bond length is 2.52 Å. The Sb(1)-S(6) bond length is 2.51 Å. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one Cu(1), one S(1), one S(2), and one S(3) atom. The Sb(2)-S(1) bond length is 2.54 Å. The Sb(2)-S(2) bond length is 2.53 Å. The Sb(2)-S(3) bond length is 2.50 Å. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(2), one Cu(1), one Cu(4), and one Sb(2) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one K(2), one Cu(2), two equivalent Cu(4), and one Sb(2) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one K(1), one Cu(2), two equivalent Cu(3), and one Sb(2) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), one Cu(2), one Cu(3), and one Sb(1) atom. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(2), one Cu(1), one Cu(4), and one Sb(1) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), one Cu(1), one Cu(3), and one Sb(1) atom.