TlBi2 crystallizes in the hexagonal P6/mmm space group. Tl(1) is bonded in a 14-coordinate geometry to two equivalent Tl(1) and twelve equivalent Bi(1) atoms. Bi(1) is bonded to six equivalent Tl(1) and five equivalent Bi(1) atoms to form a mixture of distorted face, corner, and edge-sharing BiTl6Bi5 trigonal bipyramids.
TlBi2 crystallizes in the hexagonal P6/mmm space group. Tl(1) is bonded in a 14-coordinate geometry to two equivalent Tl(1) and twelve equivalent Bi(1) atoms. Both Tl(1)-Tl(1) bond lengths are 3.39 Å. All Tl(1)-Bi(1) bond lengths are 3.71 Å. Bi(1) is bonded to six equivalent Tl(1) and five equivalent Bi(1) atoms to form a mixture of distorted face, corner, and edge-sharing BiTl6Bi5 trigonal bipyramids. There are three shorter (3.30 Å) and two longer (3.39 Å) Bi(1)-Bi(1) bond lengths.