Materials Data on CsK2TlF6 by Materials Project

(K)2CsTlF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsTlF6 framework. In the CsTlF6 framework, Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent TlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–F bond lengths are 2.77 Å. Tl3+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent CsF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.19 Å. F1- is bonded in a linear geometry to one Cs1+ and one Tl3+ atom.

(K)₂CsTlF₆结晶于立方晶系Fm-3m空间群。该结构为三维框架，包含八个钾分子与一个CsTlF₆骨架。在CsTlF₆骨架中，Cs¹⁺（Cs1+）与六个等价的F⁻（F1-）原子成键，形成CsF₆八面体，该八面体与六个等价的TlF₆八面体共顶点相连，共顶点八面体的倾斜角为0°，所有Cs-F键的键长均为2.77 埃（Å）。Tl³⁺（Tl3+）与六个等价的F⁻（F1-）原子成键，形成TlF₆八面体，该八面体与六个等价的CsF₆八面体共顶点相连，共顶点八面体的倾斜角为0°，所有Tl-F键的键长均为2.19 埃（Å）。F⁻（F1-）以直线型几何构型与一个Cs¹⁺（Cs1+）和一个Tl³⁺（Tl3+）原子成键。