Cationic Clathrate of Type-III Ge172–xPxTey (y ≈ 21.5, x ≈ 2y): Synthesis, Crystal Structure and Thermoelectric Properties
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https://figshare.com/articles/dataset/Cationic_Clathrate_of_Type_III_Ge_sub_172_i_x_i_sub_P_sub_i_x_i_sub_Te_sub_i_y_i_sub_i_y_i_21_5_i_x_i_2_i_y_i_Synthesis_Crystal_Structure_and_Thermoelectric_Properties/2396482
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A first germanium-based cationic clathrate of type-III, Ge129.3P42.7Te21.53, was synthesized and structurally characterized (space group P42/mnm, a = 19.948(3) Å, c = 10.440(2) Å, Z = 1). In its crystal structure, germanium and phosphorus atoms form three types of polyhedral cages centered with Te atoms. The polyhedra share pentagonal and hexagonal faces to form a 3D framework. Despite the complexity of the crystal structure, the Ge129.3P42.7Te21.53 composition corresponds to the Zintl counting scheme with a good accuracy. Ge129.3P42.7Te21.53 demonstrates semiconducting/insulating behavior of electric resistivity, high positive Seebeck coefficient (500 μV K–1 at 300 K), and low thermal conductivity (–1 K–1) within the measured temperature range.
创建时间：
2016-02-19
