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The new structure type Gd3Ni7Al14

机译:新结构类型Gd3Ni7Al14

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摘要

The crystal structure of Gd3Ni7Al14 (trigadolinium heptanickel tetradecaaluminide) belongs to a family of two-layer structures and can be described as an assembly of interpenetrating centred straight prisms. For the Ni atoms, trigonal prisms (Al4Gd2 and Al6) are observed, the Al atoms are inside tetragonal (Ni2Al2Gd4, Ni2Al4Gd2, Al4Gd4, Ni4Al4 and Al8) and pentagonal (Ni4Al6 and Al10) prisms, while the Gd atoms are at the centres of pentagonal (Ni4Al6) and hexagonal (Ni4Al8) prisms. In each case, the true coordination polyhedron is a capped prism, also including atoms from the same layer. The structural features of Gd3Ni7Al14 are similar to those of the intermetallides PrNi2Al3 and ZrNiAl. In all these structures, Ni-centred trigonal prisms form infinite columns via common triangular faces. The columns share prism edges and form a three-dimensional framework with six-membered rings in the (001) plane in the case of the PrNi2Al3 and ZrNiAl types. In the case of Gd3Ni7Al14, six-membered rings are also observed, but only two-thirds of the rings are interconnected via prism edges.
机译:Gd3Ni7Al14(三ga庚三酸十四烷铝化物)的晶体结构属于两层结构族,可以描述为互穿的中心直棱镜的组合。对于Ni原子,观察到三棱柱(Al4Gd2和Al6),Al原子位于四边形(Ni2Al2Gd4,Ni2Al4Gd2,Al4Gd4,Ni4Al4和Al8)和五边形(Ni4Al6和Al10)的内部,而Gd原子位于中心五角形(Ni4Al6)和六边形(Ni4Al8)棱镜。在每种情况下,真正的配位多面体都是带帽棱镜,也包括来自同一层的原子。 Gd3Ni7Al14的结构特征与金属间化物PrNi2Al3和ZrNiAl相似。在所有这些结构中,以镍为中心的三角棱镜通过共同的三角面形成无限大的圆柱。在PrNi2Al3和ZrNiAl类型的情况下,这些列共享棱柱边缘,并在(001)平面中形成具有六元环的三维框架。在Gd3Ni7Al14的情况下,也观察到六元环,但只有三分之二的环通过棱镜边缘互连。

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