Cs2TeI6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent I(1) atoms to form CsI12 cuboctahedra that share corners with twelve equivalent Cs(1)I12 cuboctahedra, faces with six equivalent Cs(1)I12 cuboctahedra, and faces with four equivalent Te(1)I6 octahedra. Te(1) is bonded to six equivalent I(1) atoms to form TeI6 octahedra that share faces with eight equivalent Cs(1)I12 cuboctahedra. I(1) is bonded to four equivalent Cs(1) and one Te(1) atom to form a mixture of corner, edge, and face-sharing ICs4Te square pyramids.
Cs2TeI6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent I(1) atoms to form CsI12 cuboctahedra that share corners with twelve equivalent Cs(1)I12 cuboctahedra, faces with six equivalent Cs(1)I12 cuboctahedra, and faces with four equivalent Te(1)I6 octahedra. All Cs(1)-I(1) bond lengths are 4.19 Å. Te(1) is bonded to six equivalent I(1) atoms to form TeI6 octahedra that share faces with eight equivalent Cs(1)I12 cuboctahedra. All Te(1)-I(1) bond lengths are 2.96 Å. I(1) is bonded to four equivalent Cs(1) and one Te(1) atom to form a mixture of corner, edge, and face-sharing ICs4Te square pyramids.