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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Intermetallic germanides with non-centrosymmetric structures derived from the Yb3Rh4Sn13 type
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Intermetallic germanides with non-centrosymmetric structures derived from the Yb3Rh4Sn13 type

机译:Yb3Rh4Sn13型非中心对称结构的金属间锗化物

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New germanides with composition RE3Pt4Ge13 (RE = Y, Pr, Sm, Gd, Tb, Tm) have been prepared by highpressure, high-temperature synthesis. Their crystal structures have been refined, and the relationship of this new rhombohedral and monoclinic structure types with the primitive cubic Yb3Rh4Sn13 prototype is discussed. Band structure calculations within density functional theory confirm the distorted rhombohedral and monoclinic structural arrangements to be energetically more favorable than the simple cubic one. X-ray absorption spectroscopy and magnetic susceptibility measurements indicate that the RE-atoms are in the +3 oxidation state in all studied compounds.
机译:已经通过高压高温合成制备了具有RE3Pt4Ge13的新锗化物(RE = Y,Pr,Sm,Gd,Tb,Tm)。他们的晶体结构已被细化,并讨论了这种新的菱形和单斜晶结构类型与原始立方Yb3Rh4Sn13原型的关系。密度泛函理论中的能带结构计算证实,扭曲的菱形和单斜晶结构布置在能量上比简单立方布置更有利。 X射线吸收光谱法和磁化率测量表明,在所有研究的化合物中,RE原子均处于+3氧化态。

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