Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1-3, Moscow 119991, Russia.
Inorg Chem. 2013 Jul 15;52(14):8272-9. doi: 10.1021/ic401203r. Epub 2013 Jun 26.
A first germanium-based cationic clathrate of type-III, Ge(129.3)P(42.7)Te(21.53), was synthesized and structurally characterized (space group P4(2)/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 Ge(129.3)P(42.7)Te(21.53) composition corresponds to the Zintl counting scheme with a good accuracy. Ge(129.3)P(42.7)Te(21.53) 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.
首次合成并结构表征了一种基于锗的 III 型阳离子笼状化合物 Ge(129.3)P(42.7)Te(21.53)（空间群 P4(2)/mnm，a = 19.948(3) Å，c = 10.440(2) Å，Z = 1）。在其晶体结构中，锗和磷原子形成以 Te 原子为中心的三种类型的多面体笼。多面体通过五边形和六边形共享面形成 3D 框架。尽管晶体结构复杂，但 Ge(129.3)P(42.7)Te(21.53) 的组成符合 Zintl 计数规则，具有很好的准确性。Ge(129.3)P(42.7)Te(21.53) 在测量温度范围内表现出半导体/绝缘的电阻率、高正塞贝克系数（300 K 时为 500 μV K(-1)）和低热导率（<0.92 W m(-1) K(-1)）。
