Structural, chemical, and transport properties of a new clathrate compound : Cs8Zn4Sn42
Structural, chemical, and transport properties of a new clathrate compound : Cs8Zn4Sn42
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DOI：
10.1021/cm990164i
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发表时间：
1999-09
影响因子：
8.6
通讯作者：
G. Nolas;T. Weakley;J. Cohn
中科院分区：
文献类型：
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作者：
G. Nolas;T. Weakley;J. Cohn
报道了一种元素组成为 Cs8Zn4Sn42 的新型笼形化合物的合成及其结构、化学和传输特性。该化合物为立方体，空间群为 Pm3n，晶格参数为 12.1226(19) A。单晶 X 射线衍射和结构细化表明 Cs 原子位于由 Zn 和 Sn 原子四面体键合网络形成的多面体空腔中。较大的多面体（十四面体）中的铯原子比较小的多面体（十二面体）中的铯原子表现出更大且更各向异性的热运动。 Cs 的这种“嘎嘎声”导致了在多晶颗粒上获得的这种化合物的低导热率。此外，该化合物中Zn是有序的。还讨论了这种类型的锡包合物的电子特性和热电应用的潜力。
The synthesis and structural, chemical, and transport properties of a new clathrate compound with elemental composition Cs8Zn4Sn42 is reported. This compound is cubic with space group Pm3n and a lattice parameter of 12.1226(19) A. Single-crystal X-ray diffraction and structural refinement indicate that Cs atoms reside in the polyhedral cavities formed by the tetrahedrally bonded network of Zn and Sn atoms. The Cs atom in the larger polyhedra (tetrakaidecahedra) exhibit greater and more anisotropic thermal motion than those of the smaller polyhedra (dodecahedra). This “rattling” of the Cs contributes to the low thermal conductivity of this compound, obtained on a polycrystalline pellet. In addition, Zn is ordered in this compound. Electronic properties and the potential of this type of Sn-clathrate for thermoelectric applications are also discussed.