K3SnTe3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Sn(1), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. Sn(1) is bonded in a 5-coordinate geometry to one K(2), one Sn(1), one Te(1), one Te(2), and one Te(3) atom. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Sn(1) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Sn(1) atom. In the third Te site, Te(3) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Sn(1) atom to form distorted edge-sharing TeK6Sn pentagonal bipyramids.
K3SnTe3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. There is one shorter (3.77 Å) and one longer (3.91 Å) K(1)-Te(1) bond length. There is one shorter (3.46 Å) and one longer (4.10 Å) K(1)-Te(2) bond length. There is one shorter (3.56 Å) and one longer (3.97 Å) K(1)-Te(3) bond length. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Sn(1), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. The K(2)-Sn(1) bond length is 3.93 Å. There is one shorter (3.66 Å) and one longer (3.67 Å) K(2)-Te(1) bond length. There is one shorter (3.65 Å) and one longer (3.70 Å) K(2)-Te(2) bond length. There is one shorter (3.56 Å) and one longer (3.71 Å) K(2)-Te(3) bond length. In the third K site, K(3) is bonded in a 6-coordinate geometry to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. There is one shorter (3.64 Å) and one longer (3.98 Å) K(3)-Te(1) bond length. There is one shorter (3.47 Å) and one longer (3.59 Å) K(3)-Te(2) bond length. There is one shorter (3.59 Å) and one longer (3.62 Å) K(3)-Te(3) bond length. Sn(1) is bonded in a 5-coordinate geometry to one K(2), one Sn(1), one Te(1), one Te(2), and one Te(3) atom. The Sn(1)-Sn(1) bond length is 2.86 Å. The Sn(1)-Te(1) bond length is 2.75 Å. The Sn(1)-Te(2) bond length is 2.75 Å. The Sn(1)-Te(3) bond length is 2.76 Å. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Sn(1) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Sn(1) atom. In the third Te site, Te(3) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Sn(1) atom to form distorted edge-sharing TeK6Sn pentagonal bipyramids.