Structure refinement and superspace description of the system Bi(2(n + 2))Mo(n)O(6(n + 1)) (n = 3, 4, 5 and 6).

IF 1.9 3区化学

Acta Crystallographica Section B-structural Science Pub Date : 2012-08-01 Epub Date: 2012-06-28 DOI:10.1107/S0108768112017478

P J Bereciartua, F J Zuñiga, J M Perez-Mato, V Petříček, E Vila, A Castro, J Rodríguez-Carvajal, S Doyle

引用次数: 4

Abstract

The system Bi(2(n + 2))Mo(n)O(6(n + 1)) is described within the superspace formalism. Two superspace models are proposed for the different members of this family, depending on the parity of the parameter n. The superspace model for the odd members is constructed through the embedding of the cationic distribution of the member with n = 3, and the modification of a superspace model previously proposed for the compound Bi(2)MoO(6). However, this model cannot be applied to the even members of the family. Performing the appropriate transformations, a suitable superspace model for the even members is obtained. The atomic structure of the different compounds of the family have been refined through the Rietveld method combining synchrotron X-ray and neutron powder diffraction data.

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系统Bi(2(n + 2))Mo(n)O(6(n + 1)) (n = 3,4,5和6)的结构精化和超空间描述。

系统Bi(2(n + 2))Mo(n)O(6(n + 1))用超空间形式描述。根据参数n的宇称，对这一族的不同成员提出了两个超空间模型。通过嵌入n = 3成员的阳离子分布，并对先前提出的化合物Bi(2)MoO(6)的超空间模型进行修正，构建了奇数成员的超空间模型。然而，这种模式不能适用于家庭的偶数成员。通过适当的变换，得到了偶成员的合适的超空间模型。通过Rietveld方法结合同步加速器x射线和中子粉末衍射数据，确定了该家族不同化合物的原子结构。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section B-structural Science 化学-晶体学

自引率

5.30%

发文量

审稿时长

6-12 weeks

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.