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Synthesis and structural characterization of the type-I clathrates K8AlxSn46-x and Rb8AlxSn46-x (x ≃ 6.4-9.7).
Acta Crystallographica Section C ( IF 0.7 ) Pub Date : 2019-10-24 , DOI: 10.1107/s205322961901427x
Sviatoslav Baranets 1 , Marion Schäfer 1 , Svilen Bobev 1
Affiliation  

Exploratory studies in the systems A–Al–Sn (A = K and Rb) yielded the clathrates K8AlxSn46–x (potassium aluminium stannide) and Rb8AlxSn46–x (rubidium aluminium stannide), both with the cubic type‐I structure (space group Pm\overline{3}n, No. 223; a ≃ 12.0 Å). The Al:Sn ratio is close to the idealized A8Al8Sn38 composition and it is shown that it can be varied slightly, in the range of ca ±1.5, depending on the experimental conditions. Both the (Sn,Al)20 and the (Sn,Al)24 cages in the structure are fully occupied by the guest alkali metal atoms, i.e. K or Rb. The A8Al8Sn38 formula has a valence electron count that obeys the valence rules and represents an intrinsic semiconductor, while the experimentally determined compositions A8AlxSn38∓x suggest the synthesized materials to be nearly charge‐balanced Zintl phases, i.e. they are likely to behave as heavily doped p‐ or n‐type semiconductors.

中文翻译:

I型包合物K8AlxSn46-x和Rb8AlxSn46-x的合成和结构表征(x≃6.4-9.7)。

在系统探索性研究-Al-Sn系(= K和Rb),得到包合物ķ 8的Al X的Sn 46- X(钾铝锡化物)和Rb 8的Al X的Sn 46- X(铷铝锡化物),都与立方I型结构(空间群为PM \ overline {3}ñ,223号;一个≃12.0埃)。Al:Sn比接近理想化的A 8 Al 8 Sn 38组成,并且表明在Ca范围内可以略有变化±1.5,取决于实验条件。结构中的(Sn,Al)20和(Sn,Al)24笼子都被客体碱金属原子(K或Rb)完全占据。所述8的Al 8的Sn 38公式具有价电子计数服从化合价规则和表示的本征半导体,而实验确定的组合物8的Al X的Sn 38∓ X建议将合成的材料中几乎来平衡电荷津特耳相,它们可能表现为重掺杂的pn型半导体。
更新日期:2019-10-24
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