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Cu5In3‐Cu3In2 Revisited
European Journal of Inorganic Chemistry ( IF 2.3 ) Pub Date : 2018-07-05 , DOI: 10.1002/ejic.201800316 Sven Lidin 1 , Shuying Piao 1
European Journal of Inorganic Chemistry ( IF 2.3 ) Pub Date : 2018-07-05 , DOI: 10.1002/ejic.201800316 Sven Lidin 1 , Shuying Piao 1
Affiliation
The η‐phase field of the Cu–In system is unusually rich and shows wealth of phases that are all related to the B8 (NiAs/Ni2In) type. Previous electron diffraction work has revealed extensive super structure ordering; in this study, we report single crystal diffraction experiments on high‐quality samples of two of the phases in the system, ht1‐Cu5In3 and ht2‐Cu5In3. Both these phases constitute super structures, caused by the ordering of interstitials. The structure ht2‐Cu5In3 is a relatively simple structure with a bidimensional modulation but where only first order satellites are visible, indicating incomplete order whereas ht1‐Cu5In3 displays many high order satellites and the refined structure exhibit nearly perfect order with step‐function‐like occupancy domains. The refinement of the structure of ht1‐Cu5In3 is challenging for several reasons. It is difficult to integrate the data because of the unusual combination of very closely spaced satellites caused by q‐vectors close to (1/3 1/3 0) and a paucity of reflections in total, caused by the small substructure. A second challenge is the refinement of what amounts to a two‐dimensional step function. In effect, the shape of a two‐dimensional occupation domain is defined by a Fourier series and the problem of defining that shape is non‐trivial.
中文翻译:
再谈Cu5In3‐Cu3In2
Cu-In系统的η相场非常丰富,显示出丰富的相,这些相都与B8(NiAs / Ni2In)类型有关。先前的电子衍射工作显示出广泛的超结构有序性;在这项研究中,我们报告了对系统中两相ht1-Cu 5 In 3和ht2-Cu 5 In 3的高质量样品的单晶衍射实验。这两个阶段都是由插页式广告的顺序引起的上层建筑。ht2-Cu 5 In 3结构是一种相对简单的具有二维调制的结构,但只有一阶卫星可见,表明阶数不完整,而ht1-Cu 5 In 3可以显示许多高阶卫星,并且经过精炼的结构具有类似阶跃函数的占用域,表现出近乎完美的秩序。ht1-Cu 5 In 3的结构细化由于许多原因而具有挑战性。由于q向量接近(1/3 1/3 0)引起的非常紧密间隔的卫星的异常组合,以及由小的子结构引起的总反射很少,因此很难整合数据。第二个挑战是对相当于二维阶跃函数的函数的改进。实际上,二维占领域的形状是由傅立叶级数定义的,定义该形状的问题并非易事。
更新日期:2018-07-05
中文翻译:
再谈Cu5In3‐Cu3In2
Cu-In系统的η相场非常丰富,显示出丰富的相,这些相都与B8(NiAs / Ni2In)类型有关。先前的电子衍射工作显示出广泛的超结构有序性;在这项研究中,我们报告了对系统中两相ht1-Cu 5 In 3和ht2-Cu 5 In 3的高质量样品的单晶衍射实验。这两个阶段都是由插页式广告的顺序引起的上层建筑。ht2-Cu 5 In 3结构是一种相对简单的具有二维调制的结构,但只有一阶卫星可见,表明阶数不完整,而ht1-Cu 5 In 3可以显示许多高阶卫星,并且经过精炼的结构具有类似阶跃函数的占用域,表现出近乎完美的秩序。ht1-Cu 5 In 3的结构细化由于许多原因而具有挑战性。由于q向量接近(1/3 1/3 0)引起的非常紧密间隔的卫星的异常组合,以及由小的子结构引起的总反射很少,因此很难整合数据。第二个挑战是对相当于二维阶跃函数的函数的改进。实际上,二维占领域的形状是由傅立叶级数定义的,定义该形状的问题并非易事。