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The structure of Ce2Al3Ge4 refined for the first time from single‐crystal X‐ray diffraction data
Acta Crystallographica Section C ( IF 0.7 ) Pub Date : 2021-01-14 , DOI: 10.1107/s2053229621000383
Paul Tobash , Svilen Bobev

Single crystals of dicerium trialuminium tetragermanide, Ce2Al3Ge4, have been synthesized from a high‐temperature reaction using an eutectic mixture of Al and Ge as a metal flux. Through single‐crystal X‐ray diffraction it was established that Ce2Al3Ge4 crystallizes in the centrosymmetric space group Cmce (No. 64) with the Ba2Cd3Bi4 structure type (Pearson code oC36). Five atoms compose the asymmetric unit, i.e. one Ce, two Al, and two Ge atoms, all in special positions with Wyckoff symbols 8f (Ce), 4a and 8e (Al), and 8e and 8f (Ge). The structure can be described as a three‐dimensional network of Al and Ge atoms, with Ce atoms occupying the cavities of the framework.

中文翻译:

单晶X射线衍射数据首次精制Ce2Al3Ge4的结构

四锗酸铈单晶Ce 2 Al 3 Ge 4是通过高温反应使用Al和Ge的共晶混合物作为金属熔剂合成的。通过单晶X射线衍射,可以确定Ce 2 Al 3 Ge 4在具有Ba 2 Cd 3 Bi 4结构类型(Pearson码oC 36)的中心对称空间群Cmce(64号)中结晶。由五个原子组成的不对称单元,一个Ce,两个Al和两个Ge原子,均处在特殊位置,并带有Wyckoff符号8 f(Ce),4a和8 e(Al)以及8 e和8 f(Ge)。该结构可以描述为Al和Ge原子的三维网络,其中Ce原子占据了框架的空腔。
更新日期:2021-02-04
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