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
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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 (<0.92 W m–1 K–1) within the measured temperature range.
