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Superstructure formation in Sc5Cu2In4
Zeitschrift für Kristallographie - Crystalline Materials ( IF 0.9 ) Pub Date : 2020-10-25 , DOI: 10.1515/zkri-2020-0032
Nataliya L. Gulay 1 , Rolf-Dieter Hoffmann 2 , Vasyl‘ I. Zaremba 3 , Yaroslav M. Kalychak 1 , Rainer Pöttgen 2
Affiliation  

Abstract Polycrystalline Sc5Cu2In4 was synthesized by induction melting of the elements and small single crystals were obtained by a slow cooling sequence. Sc5Cu2In4 is the first coinage metal representative in the family of the so-called 5-2-4 intermetallics. The Zr5Ir2In4 type structure of Sc5Cu2In4 was refined from single crystal X-ray diffractometer data: Pnma, a = 1716.75(6), b = 677.94(12), c = 760.69(2) pm, wR2 = 0.0531, 1932 F2 values and 58 variables. Sc5Cu2In4 adopts a superstructure of the Lu5Ni2In4 type (doubling of the b axis and klassengleiche symmetry reduction from Pbam to Pnma), caused by dislocation of the copper atoms (puckering effect). Geometrically, Sc5Cu2In4 is a 4:1 intergrowth structure of distorted AlB2 and CsCl related slabs.

中文翻译:

Sc5Cu2In4 中超结构的形成

摘要 通过元素的感应熔化合成了多晶Sc5Cu2In4,并通过缓慢冷却序列获得了小的单晶。Sc5Cu2In4 是所谓的 5-2-4 金属间化合物家族中的第一个造币金属代表。Sc5Cu2In4 的 Zr5Ir2In4 型结构是从单晶 X 射线衍射仪数据中提炼出来的:Pnma, a = 1716.75(6), b = 677.94(12), c = 760.69(2) pm, wR2 = 0.0531,2 F值和 193变量。Sc5Cu2In4 采用 Lu5Ni2In4 类型的超结构(b 轴加倍,klassengleiche 对称性从 Pbam 减少到 Pnma),由铜原子的位错(褶皱效应)引起。在几何上,Sc5Cu2In4 是扭曲的 AlB2 和 CsCl 相关板坯的 4:1 共生结构。
更新日期:2020-10-25
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