K16PdTl22 crystallizes in the trigonal R32 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one Tl(2), one Tl(4), one Tl(5), one Tl(6), and three equivalent Tl(3) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one Tl(1), one Tl(3), one Tl(6), and three equivalent Tl(4) atoms. In the third K site, K(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Tl(2) and six equivalent Tl(3) atoms. In the fourth K site, K(4) is bonded in a distorted hexagonal planar geometry to three equivalent Tl(1) and six equivalent Tl(4) atoms. Pd(1) is bonded in a distorted trigonal bipyramidal geometry to two equivalent Tl(5), three equivalent Tl(1), and six equivalent Tl(4) atoms. There are six inequivalent Tl sites. In the first Tl site, Tl(5) is bonded in a distorted single-bond geometry to three equivalent K(1), one Pd(1), and three equivalent Tl(4) atoms. In the second Tl site, Tl(6) is bonded in a 12-coordinate geometry to three equivalent K(1), three equivalent K(2), three equivalent Tl(2), and three equivalent Tl(3) atoms. In the third Tl site, Tl(1) is bonded in a 1-coordinate geometry to two equivalent K(2), two equivalent K(4), one Pd(1), and four equivalent Tl(4) atoms. In the fourth Tl site, Tl(2) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent K(3), two equivalent Tl(6), and four equivalent Tl(3) atoms. In the fifth Tl site, Tl(3) is bonded in a 10-coordinate geometry to one K(2), two equivalent K(3), three equivalent K(1), one Tl(3), one Tl(6), and two equivalent Tl(2) atoms. In the sixth Tl site, Tl(4) is bonded in a 11-coordinate geometry to one K(1), two equivalent K(4), three equivalent K(2), one Pd(1), one Tl(4), one Tl(5), and two equivalent Tl(1) atoms.
K16PdTl22 crystallizes in the trigonal R32 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one Tl(2), one Tl(4), one Tl(5), one Tl(6), and three equivalent Tl(3) atoms. The K(1)-Tl(2) bond length is 3.65 Å. The K(1)-Tl(4) bond length is 3.91 Å. The K(1)-Tl(5) bond length is 3.94 Å. The K(1)-Tl(6) bond length is 4.01 Å. There are a spread of K(1)-Tl(3) bond distances ranging from 3.67-4.09 Å. In the second K site, K(2) is bonded in a 5-coordinate geometry to one Tl(1), one Tl(3), one Tl(6), and three equivalent Tl(4) atoms. The K(2)-Tl(1) bond length is 3.57 Å. The K(2)-Tl(3) bond length is 3.82 Å. The K(2)-Tl(6) bond length is 3.94 Å. There are a spread of K(2)-Tl(4) bond distances ranging from 3.76-4.17 Å. In the third K site, K(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Tl(2) and six equivalent Tl(3) atoms. All K(3)-Tl(2) bond lengths are 4.17 Å. There are three shorter (3.82 Å) and three longer (4.20 Å) K(3)-Tl(3) bond lengths. In the fourth K site, K(4) is bonded in a distorted hexagonal planar geometry to three equivalent Tl(1) and six equivalent Tl(4) atoms. All K(4)-Tl(1) bond lengths are 3.84 Å. There are three shorter (3.92 Å) and three longer (4.27 Å) K(4)-Tl(4) bond lengths. Pd(1) is bonded in a distorted trigonal bipyramidal geometry to two equivalent Tl(5), three equivalent Tl(1), and six equivalent Tl(4) atoms. Both Pd(1)-Tl(5) bond lengths are 2.87 Å. All Pd(1)-Tl(1) bond lengths are 2.76 Å. All Pd(1)-Tl(4) bond lengths are 3.34 Å. There are six inequivalent Tl sites. In the first Tl site, Tl(5) is bonded in a distorted single-bond geometry to three equivalent K(1), one Pd(1), and three equivalent Tl(4) atoms. All Tl(5)-Tl(4) bond lengths are 3.15 Å. In the second Tl site, Tl(6) is bonded in a 12-coordinate geometry to three equivalent K(1), three equivalent K(2), three equivalent Tl(2), and three equivalent Tl(3) atoms. All Tl(6)-Tl(2) bond lengths are 3.52 Å. All Tl(6)-Tl(3) bond lengths are 3.23 Å. In the third Tl site, Tl(1) is bonded in a 1-coordinate geometry to two equivalent K(2), two equivalent K(4), one Pd(1), and four equivalent Tl(4) atoms. There are two shorter (3.23 Å) and two longer (3.32 Å) Tl(1)-Tl(4) bond lengths. In the fourth Tl site, Tl(2) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent K(3), two equivalent Tl(6), and four equivalent Tl(3) atoms. There are two shorter (3.14 Å) and two longer (3.26 Å) Tl(2)-Tl(3) bond lengths. In the fifth Tl site, Tl(3) is bonded in a 10-coordinate geometry to one K(2), two equivalent K(3), three equivalent K(1), one Tl(3), one Tl(6), and two equivalent Tl(2) atoms. The Tl(3)-Tl(3) bond length is 3.30 Å. In the sixth Tl site, Tl(4) is bonded in a 11-coordinate geometry to one K(1), two equivalent K(4), three equivalent K(2), one Pd(1), one Tl(4), one Tl(5), and two equivalent Tl(1) atoms. The Tl(4)-Tl(4) bond length is 3.29 Å.