Sc3Ir4Si13+x和Sc4Ir7Ge6 -钙钛矿相关晶体结构

IF 0.9 4区材料科学 Q3 CRYSTALLOGRAPHY

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2021-11-15 DOI:10.1515/zkri-2021-2055

V. Levytskyi, J. Wagler, C. Hennig, M. Feig, T. Weigel, A. Leithe-Jasper, D. Meyer, R. Gumeniuk

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引用次数: 1

摘要

摘要Sc3Ir4Si13+x（x=0.22）[空间群Pm3‾n$Pm \8254{3}n$，a=8.4651（1）Å]被发现是原始立方Yb3Rh4Sn13-Remeika原型的一个新的无序变体。硅化物在1283–1397°C的窄温度范围内稳定，并显示出金属性质。Sc4Ir7Ge6[U4Re7Si6型，空间群Im3‾m$Im \8254{3}m$，a=8.397（8）Å]首次被细化。电子能带结构计算表明，这种锗化物的性质可以基于自由电子气模型来解释。这两种化合物都显示出与简单钙钛矿结构密切的结构关系。

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Sc3Ir4Si13+x and Sc4Ir7Ge6 – the perovskite-related crystal structures

Abstract The crystal structure of Sc3Ir4Si13+x (x = 0.22) [space group Pm3‾n$Pm‾{3}n$, a = 8.4651(1) Å] is found to be a new disordered variant of the primitive cubic Yb3Rh4Sn13 Remeika prototype. The silicide is stable in the narrow temperature range of 1283–1397 °C and reveals metallic properties. The crystal structure of Sc4Ir7Ge6 [U4Re7Si6 type, space group Im3‾m$Im‾{3}m$, a = 8.1397(8) Å] is refined for the first time. The electronic band structure calculations reveal that the properties of this germanide can be explained based on the free electron gas model. Both compounds reveal close structural relationships to the simple perovskite structure.

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来源期刊

Zeitschrift Fur Kristallographie-Crystalline Materials CRYSTALLOGRAPHY-

CiteScore

2.00

自引率

16.70%

发文量

期刊介绍： Zeitschrift für Kristallographie – Crystalline Materials was founded in 1877 by Paul von Groth and is today one of the world’s oldest scientific journals. It offers a place for researchers to present results of their theoretical experimental crystallographic studies. The journal presents significant results on structures and on properties of organic/inorganic substances with crystalline character, periodically ordered, modulated or quasicrystalline on static and dynamic phenomena applying the various methods of diffraction, spectroscopy and microscopy.