Preparation and Crystal Structure of the Clathrate-I Cs8–xGe44+y□2–y
Preparation and Crystal Structure of the Clathrate-I Cs8–xGe44+y□2–y
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笼形 I Cs8–xGe44+y□2–y 的制备及晶体结构
DOI：
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发表时间：
2011
期刊：
影响因子：
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通讯作者：
Y. Grin
中科院分区：
文献类型：
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作者：
I. Veremchuk;Aron Wosylus;Bodo Böhme;M. Baitinger;H. Borrmann;Y. Prots;U. Burkhardt;U. Schwarz;Y. Grin
通过Cs4Ge4和α-Ge的高压高温反应制备了笼形I相Cs8–xGe44+y□2–y（空间群Pmn）。发现不同的反应条件对笼形 I 相的晶格参数有很大影响，范围为 10.8070(2) A 至 10.8493(3) A。从 a = 10.8238(2) A 的样品（铌安瓿，p = 3.4 GPa，最高温度 = 1400 °C）。基于X射线单晶数据的结构分析明确地表明，相对于基于Zintl概念的电子平衡组合物Cs8Ge44□2，锗原子过量。
The clathrate-I phase Cs8–xGe44+y□2–y (space group Pmn) was prepared by high-pressure high-temperature reactions of Cs4Ge4 and α-Ge. Different reaction conditions were found to have a strong influence on the lattice parameter of the clathrate-I phase ranging from 10.8070(2) A to 10.8493(3) A. A single crystal with composition Cs8Ge44.40(2)□1.60(2) was obtained from a sample with a = 10.8238(2) A (niobium ampoule, p = 3.4 GPa, Tmax = 1400 °C). Structure analysis based on X-ray single crystal data shows unambiguously an excess of germanium atoms with respect to the electron balanced composition Cs8Ge44□2 on basis of the Zintl concept.