Sc6CdTe2 crystallizes in the orthorhombic Pnma space group. There are six inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to two equivalent Te(1) and two equivalent Te(2) atoms. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Cd(1) and one Te(1) atom. In the third Sc site, Sc(3) is bonded in a 5-coordinate geometry to three equivalent Cd(1) and two equivalent Te(1) atoms. In the fourth Sc site, Sc(4) is bonded in a 4-coordinate geometry to one Cd(1), one Te(1), and three equivalent Te(2) atoms. In the fifth Sc site, Sc(5) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one Te(2) atom. In the sixth Sc site, Sc(6) is bonded to two equivalent Cd(1), one Te(1), and two equivalent Te(2) atoms to form distorted edge-sharing ScCd2Te3 square pyramids. Cd(1) is bonded in a 9-coordinate geometry to one Sc(2), one Sc(4), two equivalent Sc(5), two equivalent Sc(6), and three equivalent Sc(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 8-coordinate geometry to one Sc(5), two equivalent Sc(1), two equivalent Sc(6), and three equivalent Sc(4) atoms. In the second Te site, Te(1) is bonded to one Sc(2), one Sc(4), one Sc(6), two equivalent Sc(1), and two equivalent Sc(3) atoms to form distorted edge-sharing TeSc7 pentagonal bipyramids.
Sc6CdTe2 crystallizes in the orthorhombic Pnma space group. There are six inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to two equivalent Te(1) and two equivalent Te(2) atoms. Both Sc(1)-Te(1) bond lengths are 2.99 Å. Both Sc(1)-Te(2) bond lengths are 3.03 Å. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Cd(1) and one Te(1) atom. The Sc(2)-Cd(1) bond length is 3.29 Å. The Sc(2)-Te(1) bond length is 2.98 Å. In the third Sc site, Sc(3) is bonded in a 5-coordinate geometry to three equivalent Cd(1) and two equivalent Te(1) atoms. There are two shorter (2.96 Å) and one longer (3.02 Å) Sc(3)-Cd(1) bond length. Both Sc(3)-Te(1) bond lengths are 3.00 Å. In the fourth Sc site, Sc(4) is bonded in a 4-coordinate geometry to one Cd(1), one Te(1), and three equivalent Te(2) atoms. The Sc(4)-Cd(1) bond length is 3.35 Å. The Sc(4)-Te(1) bond length is 2.96 Å. There are two shorter (3.06 Å) and one longer (3.18 Å) Sc(4)-Te(2) bond length. In the fifth Sc site, Sc(5) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one Te(2) atom. Both Sc(5)-Cd(1) bond lengths are 2.93 Å. The Sc(5)-Te(2) bond length is 2.95 Å. In the sixth Sc site, Sc(6) is bonded to two equivalent Cd(1), one Te(1), and two equivalent Te(2) atoms to form distorted edge-sharing ScCd2Te3 square pyramids. Both Sc(6)-Cd(1) bond lengths are 2.91 Å. The Sc(6)-Te(1) bond length is 2.93 Å. Both Sc(6)-Te(2) bond lengths are 2.95 Å. Cd(1) is bonded in a 9-coordinate geometry to one Sc(2), one Sc(4), two equivalent Sc(5), two equivalent Sc(6), and three equivalent Sc(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 8-coordinate geometry to one Sc(5), two equivalent Sc(1), two equivalent Sc(6), and three equivalent Sc(4) atoms. In the second Te site, Te(1) is bonded to one Sc(2), one Sc(4), one Sc(6), two equivalent Sc(1), and two equivalent Sc(3) atoms to form distorted edge-sharing TeSc7 pentagonal bipyramids.