K6Tl2Sb3 crystallizes in the monoclinic C2/c space group. There are seven inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one Tl(2), two equivalent Tl(1), one Sb(2), one Sb(3), and two equivalent Sb(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent Tl(1), one Sb(1), one Sb(2), and two equivalent Sb(3) atoms. In the third K site, K(3) is bonded in a 5-coordinate geometry to one Tl(2), one Sb(1), one Sb(2), and two equivalent Sb(3) atoms. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one Tl(2), one Sb(2), one Sb(3), and two equivalent Sb(1) atoms. In the fifth K site, K(5) is bonded in a 6-coordinate geometry to two equivalent Tl(1), one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. In the sixth K site, K(6) is bonded in a 4-coordinate geometry to two equivalent Tl(2), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the seventh K site, K(7) is bonded in a 4-coordinate geometry to two equivalent Tl(2), two equivalent Sb(2), and two equivalent Sb(3) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 9-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(5), one Sb(1), one Sb(2), and one Sb(3) atom. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to one K(1), one K(3), one K(4), one K(6), one K(7), one Tl(2), one Sb(1), one Sb(2), and one Sb(3) atom. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to one K(2), one K(3), one K(5), one K(6), two equivalent K(1), two equivalent K(4), one Tl(1), and one Tl(2) atom. In the second Sb site, Sb(2) is bonded in a 10-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one K(6), one K(7), two equivalent K(5), one Tl(1), and one Tl(2) atom. In the third Sb site, Sb(3) is bonded in a 10-coordinate geometry to one K(1), one K(4), one K(5), one K(7), two equivalent K(2), two equivalent K(3), one Tl(1), and one Tl(2) atom.
K6Tl2Sb3 crystallizes in the monoclinic C2/c space group. There are seven inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one Tl(2), two equivalent Tl(1), one Sb(2), one Sb(3), and two equivalent Sb(1) atoms. The K(1)-Tl(2) bond length is 3.68 Å. There is one shorter (3.74 Å) and one longer (3.90 Å) K(1)-Tl(1) bond length. The K(1)-Sb(2) bond length is 3.60 Å. The K(1)-Sb(3) bond length is 3.72 Å. There is one shorter (3.56 Å) and one longer (3.72 Å) K(1)-Sb(1) bond length. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent Tl(1), one Sb(1), one Sb(2), and two equivalent Sb(3) atoms. There is one shorter (3.61 Å) and one longer (3.84 Å) K(2)-Tl(1) bond length. The K(2)-Sb(1) bond length is 3.76 Å. The K(2)-Sb(2) bond length is 3.76 Å. There is one shorter (3.65 Å) and one longer (3.70 Å) K(2)-Sb(3) bond length. In the third K site, K(3) is bonded in a 5-coordinate geometry to one Tl(2), one Sb(1), one Sb(2), and two equivalent Sb(3) atoms. The K(3)-Tl(2) bond length is 3.44 Å. The K(3)-Sb(1) bond length is 3.56 Å. The K(3)-Sb(2) bond length is 3.54 Å. There is one shorter (3.60 Å) and one longer (3.71 Å) K(3)-Sb(3) bond length. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one Tl(2), one Sb(2), one Sb(3), and two equivalent Sb(1) atoms. The K(4)-Tl(2) bond length is 3.44 Å. The K(4)-Sb(2) bond length is 3.61 Å. The K(4)-Sb(3) bond length is 3.63 Å. There is one shorter (3.67 Å) and one longer (3.68 Å) K(4)-Sb(1) bond length. In the fifth K site, K(5) is bonded in a 6-coordinate geometry to two equivalent Tl(1), one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. There is one shorter (3.59 Å) and one longer (3.87 Å) K(5)-Tl(1) bond length. The K(5)-Sb(1) bond length is 3.83 Å. The K(5)-Sb(3) bond length is 3.74 Å. There is one shorter (3.58 Å) and one longer (3.65 Å) K(5)-Sb(2) bond length. In the sixth K site, K(6) is bonded in a 4-coordinate geometry to two equivalent Tl(2), two equivalent Sb(1), and two equivalent Sb(2) atoms. Both K(6)-Tl(2) bond lengths are 3.95 Å. Both K(6)-Sb(1) bond lengths are 3.59 Å. Both K(6)-Sb(2) bond lengths are 3.50 Å. In the seventh K site, K(7) is bonded in a 4-coordinate geometry to two equivalent Tl(2), two equivalent Sb(2), and two equivalent Sb(3) atoms. Both K(7)-Tl(2) bond lengths are 3.99 Å. Both K(7)-Sb(2) bond lengths are 3.49 Å. Both K(7)-Sb(3) bond lengths are 3.66 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 9-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(5), one Sb(1), one Sb(2), and one Sb(3) atom. The Tl(1)-Sb(1) bond length is 3.23 Å. The Tl(1)-Sb(2) bond length is 3.24 Å. The Tl(1)-Sb(3) bond length is 3.22 Å. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to one K(1), one K(3), one K(4), one K(6), one K(7), one Tl(2), one Sb(1), one Sb(2), and one Sb(3) atom. The Tl(2)-Tl(2) bond length is 3.25 Å. The Tl(2)-Sb(1) bond length is 3.11 Å. The Tl(2)-Sb(2) bond length is 3.18 Å. The Tl(2)-Sb(3) bond length is 3.09 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to one K(2), one K(3), one K(5), one K(6), two equivalent K(1), two equivalent K(4), one Tl(1), and one Tl(2) atom. In the second Sb site, Sb(2) is bonded in a 10-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one K(6), one K(7), two equivalent K(5), one Tl(1), and one Tl(2) atom. In the third Sb site, Sb(3) is bonded in a 10-coordinate geometry to one K(1), one K(4), one K(5), one K(7), two equivalent K(2), two equivalent K(3), one Tl(1), and one Tl(2) atom.