Revision of the Mg(ClO4)2·4H2O crystal structure.

IF 1.9 3区化学 Acta Crystallographica Section B-structural Science Pub Date : 2012-02-01 Epub Date: 2012-01-18 DOI:10.1107/S0108768111054371

Leonid A Solovyov

引用次数: 6

Abstract

A revision is presented of the restrained Rietveld analysis of the crystal structure of magnesium perchlorate tetrahydrate, Mg(ClO(4))(2)·4H(2)O, recently published by Robertson & Bish [(2010), Acta Cryst. B 66, 579-584]. The actual symmetry of the material is shown to be C2/m. The corrected structure model is refined by the derivative difference method [Solovyov (2004). J. Appl. Cryst. 37, 743-749], anisotropically for all non-H atoms and isotropically for two independent H atoms without restraints.

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Mg(ClO4)2·4H2O晶体结构的修正。

对Robertson & Bish [(2010)， Acta crystal]最近发表的四水合物高氯酸镁(Mg(ClO(4))(2)·4H(2)O)晶体结构的约束Rietveld分析进行了修正。[j].科学通报，1999,19(4):579-584。材料的实际对称性为C2/m。修正后的结构模型采用导数差分法进行细化[Solovyov(2004)]。j:。晶体学报，37,743-749]，所有非氢原子的各向异性和两个不受约束的独立氢原子的各向同性。

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.