Materials Data on Cs2TeI6 by Materials Project
Cs2TeI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with four equivalent TeI6 octahedra. All Cs–I bond lengths are 4.27 Å. Te4+ is bonded to six equivalent I1- atoms to form TeI6 octahedra that share faces with eight equivalent CsI12 cuboctahedra. All Te–I bond lengths are 2.98 Å. I1- is bonded to four equivalent Cs1+ and one Te4+ atom to form a mixture of distorted edge, face, and corner-sharing ICs4Te square pyramids.
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