Materials Data on CsK2TaF6 by Materials Project

(K)2CsTaF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsTaF6 framework. In the CsTaF6 framework, Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent TaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–F bond lengths are 2.86 Å. Ta3+ is bonded to six equivalent F1- atoms to form TaF6 octahedra that share corners with six equivalent CsF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–F bond lengths are 2.06 Å. F1- is bonded in a distorted linear geometry to one Cs1+ and one Ta3+ atom.