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基于X射线粉末数据对KLaTiO₄进行Rietveld精修。

Rietveld refinement of KLaTiO(4) from X-ray powder data.

作者信息

Zhu Bai-Chuan, Tang Kai-Bin

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):i26. doi: 10.1107/S1600536811006891. Epub 2011 Mar 12.

Abstract

Potassium lanthanum titanate(IV), KLaTiO(4), has been synthesized by conventional solid-state reaction. It crystallizes isotypically with the NaLnTiO(4) (Ln = La, Pr, Nd, Sm, Eu, Gd, Y and Lu) family. Five of the six atoms in the asymmetric unit (one K, one La, one Ti and two O atoms) are situated on sites with 4mm symmetry, whereas one O atom has 2mm. site symmetry. The crystal structure can be described as being composed of single layers of distorted corner-sharing TiO(6) octa-hedra extending parallel to (001). The layers are alternately separated by K(+) and La(3+) cations along [001]. The coordination number of both K(+) and La(3+) cations is nine, resulting in distorted KO(9) and LaO(9) polyhedra.

摘要

钛酸镧钾(IV),KLaTiO₄,通过传统的固态反应合成。它与NaLnTiO₄(Ln = La、Pr、Nd、Sm、Eu、Gd、Y和Lu)族同型结晶。不对称单元中的六个原子中的五个(一个K、一个La、一个Ti和两个O原子)位于具有4mm对称性的位置,而一个O原子具有2mm的点对称性。晶体结构可以描述为由平行于(001)延伸的扭曲共角TiO₆八面体单层组成。这些层沿着[001]被K⁺和La³⁺阳离子交替隔开。K⁺和La³⁺阳离子的配位数均为九,导致扭曲的KO₉和LaO₉多面体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/420c/3099793/c635f90db0ff/e-67-00i26-fig1.jpg

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