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铕钪氧化物(EuScO(3))的重新测定

Redetermination of EuScO(3).

作者信息

Kahlenberg Volker, Maier Dirk, Veličkov Boža

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 17;65(Pt 2):i8. doi: 10.1107/S1600536809001433.

Abstract

Single crystals of europium(III) scandate(III), with ideal formula EuScO(3), were grown from the melt using the micro-pulling-down method. The title compound crystallizes in an ortho-rhom-bic distorted perovskite-type structure, where Eu occupies the eightfold coordinated A sites (site symmetry m) and Sc resides on the centres of corner-sharing [ScO(6)] octa-hedra (B sites with site symmetry ). The structure of EuScO(3) has been reported previously based on powder diffraction data [Liferovich & Mitchell (2004). J. Solid State Chem.177, 2188-2197]. The results of the current redetermination based on single-crystal diffraction data shows an improvement in the precision of the structral and geometric parameters and reveals a defect-type structure. Site-occupancy refinements indicate an Eu deficiency on the A site coupled with O defects on one of the two O-atom positions. The crystallochemical formula of the investigated sample may thus be written as (A)(□(0.032)Eu(0.968))(B)ScO(2.952).

摘要

采用微下拉法从熔体中生长出理想化学式为EuScO₃的钪酸铕(III)单晶。标题化合物结晶为正交畸变钙钛矿型结构,其中Eu占据八配位的A位(点群对称性m),Sc位于共角[ScO₆]八面体的中心(点群对称性为 的B位)。EuScO₃的结构此前已基于粉末衍射数据报道过[利费罗维奇和米切尔(2004年)。《固态化学杂志》177, 2188 - 2197]。基于单晶衍射数据的当前重新测定结果显示结构和几何参数的精度有所提高,并揭示了一种缺陷型结构。占位精修表明A位存在Eu缺陷,同时两个O原子位置之一存在O缺陷。因此,所研究样品的晶体化学式可写为(A)(□(0.032)Eu(0.968))(B)ScO₂.₉₅₂ 。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f547/2968298/9d805e927501/e-65-000i8-fig1.jpg

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