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New cubic cluster phases in the Mg-Ni-Ga system.
Acta Crystallographica Section B ( IF 2.684 ) Pub Date : 2020-07-13 , DOI: 10.1107/s2052520620006423
Nazar Pavlyuk 1 , Grygoriy Dmytriv 1 , Volodymyr Pavlyuk 1 , Beata Rozdzynska-Kielbik 2 , Grzegorz Cichowicz 3 , Michał K Cyranski 3 , Ihor Chumak 4 , Helmut Ehrenberg 4
Affiliation  

The crystal structure of new Mg9Ni6Ga14 and Mg3Ni2Ga compounds were investigated by single‐crystal diffraction. Both structures can be described as three‐core‐shell cluster compounds. In the Mg6Ni9Ga14 structure, the [Ni6Ga6] icosahedron is encapsulated within the [Mg20] dodecahedron, which is again encapsulated within a [Ni18Ga42] fullerene‐like truncated icosahedron, thus the three core–shell cluster [Ni6Ga6@Mg20@Ni18Ga42] results. In the Mg3Ni2Ga structure, the [Mg6] octahedron is encapsulated within the [Ni12Ga6] flattened icosahedron in vertices of which there are 12 nickel atoms, and six lateral edges are centered by gallium atoms, which in turn is encapsulated within a [Mg36] pseudo‐rhombicuboctahedron with 12 additional atoms centering the lateral faces; thus for Mg3Ni2Ga the three‐shell cluster is [Mg6@Ni12Ga6@Mg36].

中文翻译:

Mg-Ni-Ga系统中新的立方团簇相。

通过单晶衍射研究了新型Mg 9 Ni 6 Ga 14和Mg 3 Ni 2 Ga化合物的晶体结构。两种结构都可以描述为三核壳簇化合物。在Mg 6 Ni 9 Ga 14结构中,[Ni 6 Ga 6 ]二十面体被封装在[Mg 20 ]十二面体中,然后再次被封装在[Ni 18 Ga 42 ]富勒烯状的截短二十面体中,从而形成三核–壳簇[Ni 6 Ga 6 @Mg 20 @Ni18 Ga 42 ]结果。在Mg 3 Ni 2 Ga结构中,[Mg 6 ]八面体被封装在[Ni 12 Ga 6 ]扁平二十面体中,其顶点具有12个镍原子,六个侧边以镓原子为中心,而镓原子居中被封装在[Mg 36 ]伪斜八面体中,并在侧面集中有12个其他原子;因此,对于Mg 3 Ni 2 Ga,三壳簇为[Mg 6 @Ni 12 Ga 6 @Mg 36 ]。
更新日期:2020-07-13
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