Single Crystal Structure Study of Type I Clathrate $$\hbox {K}_{8}\hbox {Zn}_4\hbox {Sn}_{42}$$ K 8 Zn 4 Sn 42 and $$\hbox {K}_8\hbox {In}_8\hbox {Sn}_{38}$$ K 8 In 8 Sn 38

Abstract

Single crystals of type I clathrate $$\hbox {K}_{8}\hbox {Zn}_4\hbox {Sn}_{42}$$ and $$\hbox {K}_8\hbox {In}_8\hbox {Sn}_{38}$$ were grown by the flux method. The structure properties of both clathrates were investigated by single-crystal x-ray diffraction. Both clathrates crystallize in space group $$Pm\bar{3}n$$ , and no phase transition was observed in the investigated temperature range (100 K–450 K). The Debye temperature, the Einstein temperature, and the static disorder parameters of each clathrate were derived. The spread of the Einstein temperatures for $$\hbox {K}_8\hbox {In}_8\hbox {Sn}_{38}$$ , $$\hbox {K}_{8}\hbox {Zn}_4\hbox {Sn}_{42}$$ , and $$\hbox {K}_8\hbox {In}_8\hbox {Sn}_{38}$$ suggest that the charge distribution on the cage framework is crucial to the energy of rattling mode in the tetrakaidecahedron of the type-I clathrate.