La2(TlSn)3 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmmm space group. La(1) is bonded to two equivalent Tl(1), two equivalent Tl(2), two equivalent Tl(3), two equivalent Sn(2), and four equivalent Sn(1) atoms to form LaTl6Sn6 cuboctahedra that share corners with twelve equivalent La(1)Tl6Sn6 cuboctahedra, edges with four equivalent Tl(2)La4Sn8 cuboctahedra, edges with four equivalent Tl(1)La4Tl4Sn4 cuboctahedra, edges with four equivalent Tl(3)La4Tl4Sn4 cuboctahedra, edges with four equivalent Sn(2)La4Tl4Sn4 cuboctahedra, edges with eight equivalent Sn(1)La4Tl6Sn2 cuboctahedra, faces with two equivalent Tl(2)La4Sn8 cuboctahedra, faces with two equivalent Tl(1)La4Tl4Sn4 cuboctahedra, faces with two equivalent Tl(3)La4Tl4Sn4 cuboctahedra, faces with two equivalent Sn(2)La4Tl4Sn4 cuboctahedra, faces with four equivalent Sn(1)La4Tl6Sn2 cuboctahedra, and faces with six equivalent La(1)Tl6Sn6 cuboctahedra. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to four equivalent La(1), four equivalent Tl(3), and four equivalent Sn(1) atoms to form TlLa4Tl4Sn4 cuboctahedra that share corners with four equivalent Tl(1)La4Tl4Sn4 cuboctahedra, corners with eight equivalent Sn(2)La4Tl4Sn4 cuboctahedra, edges with eight equivalent La(1)Tl6Sn6 cuboctahedra, edges with eight equivalent Tl(2)La4Sn8 cuboctahedra, edges with eight equivalent Sn(1)La4Tl6Sn2 cuboctahedra, faces with two equivalent Sn(2)La4Tl4Sn4 cuboctahedra, faces with four equivalent La(1)Tl6Sn6 cuboctahedra, faces with four equivalent Tl(1)La4Tl4Sn4 cuboctahedra, faces with four equivalent Tl(3)La4Tl4Sn4 cuboctahedra, and faces with four equivalent Sn(1)La4Tl6Sn2 cuboctahedra. In the second Tl site, Tl(2) is bonded to four equivalent La(1), four equivalent Sn(1), and four equivalent Sn(2) atoms to form TlLa4Sn8 cuboctahedra that share corners with four equivalent Tl(2)La4Sn8 cuboctahedra, corners with eight equivalent Tl(3)La4Tl4Sn4 cuboctahedra, edges with eight equivalent La(1)Tl6Sn6 cuboctahedra, edges with eight equivalent Tl(1)La4Tl4Sn4 cuboctahedra, edges with eight equivalent Sn(1)La4Tl6Sn2 cuboctahedra, faces with two equivalent Tl(3)La4Tl4Sn4 cuboctahedra, faces with four equivalent La(1)Tl6Sn6 cuboctahedra, faces with four equivalent Tl(2)La4Sn8 cuboctahedra, faces with four equivalent Sn(2)La4Tl4Sn4 cuboctahedra, and faces with four equivalent Sn(1)La4Tl6Sn2 cuboctahedra. In the third Tl site, Tl(3) is bonded to four equivalent La(1), four equivalent Tl(1), and four equivalent Sn(1) atoms to form TlLa4Tl4Sn4 cuboctahedra that share corners with four equivalent Tl(3)La4Tl4Sn4 cuboctahedra, corners with eight equivalent Tl(2)La4Sn8 cuboctahedra, edges with eight equivalent La(1)Tl6Sn6 cuboctahedra, edges with eight equivalent Sn(2)La4Tl4Sn4 cuboctahedra, edges with eight equivalent Sn(1)La4Tl6Sn2 cuboctahedra, faces with two equivalent Tl(2)La4Sn8 cuboctahedra, faces with four equivalent La(1)Tl6Sn6 cuboctahedra, faces with four equivalent Tl(1)La4Tl4Sn4 cuboctahedra, faces with four equivalent Tl(3)La4Tl4Sn4 cuboctahedra, and faces with four equivalent Sn(1)La4Tl6Sn2 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent La(1), two equivalent Tl(1), two equivalent Tl(2), two equivalent Tl(3), and two equivalent Sn(2) atoms to form distorted SnLa4Tl6Sn2 cuboctahedra that share corners with twelve equivalent Sn(1)La4Tl6Sn2 cuboctahedra, edges with four equivalent Tl(2)La4Sn8 cuboctahedra, edges with four equivalent Tl(1)La4Tl4Sn4 cuboctahedra, edges with four equivalent Tl(3)La4Tl4Sn4 cuboctahedra, edges with four equivalent Sn(2)La4Tl4Sn4 cuboctahedra, edges with eight equivalent La(1)Tl6Sn6 cuboctahedra, faces with two equivalent Tl(2)La4Sn8 cuboctahedra, faces with two equivalent Tl(1)La4Tl4Sn4 cuboctahedra, faces with two equivalent Tl(3)La4Tl4Sn4 cuboctahedra, faces with two equivalent Sn(2)La4Tl4Sn4 cuboctahedra, faces with four equivalent La(1)Tl6Sn6 cuboctahedra, and faces with six equivalent Sn(1)La4Tl6Sn2 cuboctahedra. In the second Sn site, Sn(2) is bonded to four equivalent La(1), four equivalent Tl(2), and four equivalent Sn(1) atoms to form distorted SnLa4Tl4Sn4 cuboctahedra that share corners with four equivalent Sn(2)La4Tl4Sn4 cuboctahedra, corners with eight equivalent Tl(1)La4Tl4Sn4 cuboctahedra, edges with eight equivalent La(1)Tl6Sn6 cuboctahedra, edges with eight equivalent Tl(3)La4Tl4Sn4 cuboctahedra, edges with eight equivalent Sn(1)La4Tl6Sn2 cuboctahedra, faces with two equivalent Tl(1)La4Tl4Sn4 cuboctahedra, faces with four equivalent La(1)Tl6Sn6 cuboctahedra, faces with four equivalent Tl(2)La4Sn8 cuboctahedra, faces with four equivalent Sn(2)La4Tl4Sn4 cuboctahedra, and faces with four equivalent Sn(1)La4Tl6Sn2 cuboctahedra.
La2(TlSn)3 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmmm space group. La(1) is bonded to two equivalent Tl(1), two equivalent Tl(2), two equivalent Tl(3), two equivalent Sn(2), and four equivalent Sn(1) atoms to form LaTl6Sn6 cuboctahedra that share corners with twelve equivalent La(1)Tl6Sn6 cuboctahedra, edges with four equivalent Tl(2)La4Sn8 cuboctahedra, edges with four equivalent Tl(1)La4Tl4Sn4 cuboctahedra, edges with four equivalent Tl(3)La4Tl4Sn4 cuboctahedra, edges with four equivalent Sn(2)La4Tl4Sn4 cuboctahedra, edges with eight equivalent Sn(1)La4Tl6Sn2 cuboctahedra, faces with two equivalent Tl(2)La4Sn8 cuboctahedra, faces with two equivalent Tl(1)La4Tl4Sn4 cuboctahedra, faces with two equivalent Tl(3)La4Tl4Sn4 cuboctahedra, faces with two equivalent Sn(2)La4Tl4Sn4 cuboctahedra, faces with four equivalent Sn(1)La4Tl6Sn2 cuboctahedra, and faces with six equivalent La(1)Tl6Sn6 cuboctahedra. Both La(1)-Tl(1) bond lengths are 3.50 Å. Both La(1)-Tl(2) bond lengths are 3.37 Å. Both La(1)-Tl(3) bond lengths are 3.48 Å. Both La(1)-Sn(2) bond lengths are 3.38 Å. All La(1)-Sn(1) bond lengths are 3.40 Å. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to four equivalent La(1), four equivalent Tl(3), and four equivalent Sn(1) atoms to form TlLa4Tl4Sn4 cuboctahedra that share corners with four equivalent Tl(1)La4Tl4Sn4 cuboctahedra, corners with eight equivalent Sn(2)La4Tl4Sn4 cuboctahedra, edges with eight equivalent La(1)Tl6Sn6 cuboctahedra, edges with eight equivalent Tl(2)La4Sn8 cuboctahedra, edges with eight equivalent Sn(1)La4Tl6Sn2 cuboctahedra, faces with two equivalent Sn(2)La4Tl4Sn4 cuboctahedra, faces with four equivalent La(1)Tl6Sn6 cuboctahedra, faces with four equivalent Tl(1)La4Tl4Sn4 cuboctahedra, faces with four equivalent Tl(3)La4Tl4Sn4 cuboctahedra, and faces with four equivalent Sn(1)La4Tl6Sn2 cuboctahedra. All Tl(1)-Tl(3) bond lengths are 3.40 Å. All Tl(1)-Sn(1) bond lengths are 3.46 Å. In the second Tl site, Tl(2) is bonded to four equivalent La(1), four equivalent Sn(1), and four equivalent Sn(2) atoms to form TlLa4Sn8 cuboctahedra that share corners with four equivalent Tl(2)La4Sn8 cuboctahedra, corners with eight equivalent Tl(3)La4Tl4Sn4 cuboctahedra, edges with eight equivalent La(1)Tl6Sn6 cuboctahedra, edges with eight equivalent Tl(1)La4Tl4Sn4 cuboctahedra, edges with eight equivalent Sn(1)La4Tl6Sn2 cuboctahedra, faces with two equivalent Tl(3)La4Tl4Sn4 cuboctahedra, faces with four equivalent La(1)Tl6Sn6 cuboctahedra, faces with four equivalent Tl(2)La4Sn8 cuboctahedra, faces with four equivalent Sn(2)La4Tl4Sn4 cuboctahedra, and faces with four equivalent Sn(1)La4Tl6Sn2 cuboctahedra. All Tl(2)-Sn(1) bond lengths are 3.40 Å. All Tl(2)-Sn(2) bond lengths are 3.40 Å. In the third Tl site, Tl(3) is bonded to four equivalent La(1), four equivalent Tl(1), and four equivalent Sn(1) atoms to form TlLa4Tl4Sn4 cuboctahedra that share corners with four equivalent Tl(3)La4Tl4Sn4 cuboctahedra, corners with eight equivalent Tl(2)La4Sn8 cuboctahedra, edges with eight equivalent La(1)Tl6Sn6 cuboctahedra, edges with eight equivalent Sn(2)La4Tl4Sn4 cuboctahedra, edges with eight equivalent Sn(1)La4Tl6Sn2 cuboctahedra, faces with two equivalent Tl(2)La4Sn8 cuboctahedra, faces with four equivalent La(1)Tl6Sn6 cuboctahedra, faces with four equivalent Tl(1)La4Tl4Sn4 cuboctahedra, faces with four equivalent Tl(3)La4Tl4Sn4 cuboctahedra, and faces with four equivalent Sn(1)La4Tl6Sn2 cuboctahedra. All Tl(3)-Sn(1) bond lengths are 3.47 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent La(1), two equivalent Tl(1), two equivalent Tl(2), two equivalent Tl(3), and two equivalent Sn(2) atoms to form distorted SnLa4Tl6Sn2 cuboctahedra that share corners with twelve equivalent Sn(1)La4Tl6Sn2 cuboctahedra, edges with four equivalent Tl(2)La4Sn8 cuboctahedra, edges with four equivalent Tl(1)La4Tl4Sn4 cuboctahedra, edges with four equivalent Tl(3)La4Tl4Sn4 cuboctahedra, edges with four equivalent Sn(2)La4Tl4Sn4 cuboctahedra, edges with eight equivalent La(1)Tl6Sn6 cuboctahedra, faces with two equivalent Tl(2)La4Sn8 cuboctahedra, faces with two equivalent Tl(1)La4Tl4Sn4 cuboctahedra, faces with two equivalent Tl(3)La4Tl4Sn4 cuboctahedra, faces with two equivalent Sn(2)La4Tl4Sn4 cuboctahedra, faces with four equivalent La(1)Tl6Sn6 cuboctahedra, and faces with six equivalent Sn(1)La4Tl6Sn2 cuboctahedra. Both Sn(1)-Sn(2) bond lengths are 3.39 Å. In the second Sn site, Sn(2) is bonded to four equivalent La(1), four equivalent Tl(2), and four equivalent Sn(1) atoms to form distorted SnLa4Tl4Sn4 cuboctahedra that share corners with four equivalent Sn(2)La4Tl4Sn4 cuboctahedra, corners with eight equivalent Tl(1)La4Tl4Sn4 cuboctahedra, edges with eight equivalent La(1)Tl6Sn6 cuboctahedra, edges with eight equivalent Tl(3)La4Tl4Sn4 cuboctahedra, edges with eight equivalent Sn(1)La4Tl6Sn2 cuboctahedra, faces with two equivalent Tl(1)La4Tl4Sn4 cuboctahedra, faces with four equivalent La(1)Tl6Sn6 cuboctahedra, faces with four equivalent Tl(2)La4Sn8 cuboctahedra, faces with four equivalent Sn(2)La4Tl4Sn4 cuboctahedra, and faces with four equivalent Sn(1)La4Tl6Sn2 cuboctahedra.