Nazar Zaremba, , , Mitja Krnel, , , Konstantin Semeniuk, , , Yurii Prots, , , Lev Akselrud, , , Ulrich Burkhardt, , , Andreas Leithe-Jasper, , , Eteri Svanidze*, , and , Yuri Grin,
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引用次数: 0
摘要
本文研究了一种新的砷化钍铁，Th2Fe12As7，这是在三元体系中发现的第二种化合物。结晶为非中心对称的六边形Zr2Fe12P7结构类型(空间群P6， a = 9.5506（4) Å， c = 3.8645(2) Å）。对Th2Fe12As7的成键分析表明，该结构可以用As原子的三角棱柱环境来表示，As原子是该结构阴离子组分的几何位置。该结构的阳离子组分由Th种表示。此外，化学键分析揭示了一个新的特征──铁原子之间的两原子键的三维框架，在有效电荷的意义上──基本上是中性的。它在[Fe-As]框架内起着成键介质的作用。Th2Fe12As7是一种金属顺磁体，温度低至最低测量温度0.4 K。
This work presents a study on a new thorium iron arsenide, Th2Fe12As7, a second discovered compound in the ternary system. It crystallizes in the noncentrosymmetric hexagonal Zr2Fe12P7 structure type (space group P6, a = 9.5506(4) Å and c = 3.8645(2) Å). The bonding analysis of Th2Fe12As7 reveals that the structure can be represented by a trigonal prismatic environment of the As atoms, which are the geometric locations of anionic components of the structure. The cationic components of the structure are represented by the Th species. Furthermore, the bonding analysis revealed a new feature─a three-dimensional framework of two-atomic bonds between the Fe atoms, which─in the sense of effective charges─is essentially neutral. It plays the role of a bonding mediator within the [Fe–As] framework. Th2Fe12As7 is a metallic paramagnet down to the lowest measured temperature, 0.4 K.
This work presents a study on new thorium iron arsenide, Th2Fe12As7, a second discovered compound in the Th–Fe–As ternary system.
期刊介绍：
Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.
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