Materials Data on K2TeI6 by Materials Project

K2TeI6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.64–4.03 Å. Te4+ is bonded in an octahedral geometry to six I1- atoms. All Te–I bond lengths are 2.98 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and one Te4+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Te4+ atom. In the third I1- site, I1- is bonded in a distorted see-saw-like geometry to three equivalent K1+ and one Te4+ atom.

K₂TeI₆结晶于单斜晶系P2₁/c空间群，其结构为三维结构。K⁺(K1+)以八配位构型与8个I⁻(I1-)成键，K–I键的键长分布范围为3.64~4.03 Å。Te⁴+(Te4+)以八面体配位构型与6个I⁻成键，所有Te–I键长均为2.98 Å。体系中存在3个不等价的I⁻位点：在第一个I⁻位点中，I⁻以畸变三角非共面构型与2个等价的K⁺和1个Te⁴+成键；在第二个I⁻位点中，I⁻以四配位构型与3个等价的K⁺和1个Te⁴+成键；在第三个I⁻位点中，I⁻以畸变跷跷板型构型与3个等价的K⁺和1个Te⁴+成键。