On the structural relations of malachite. I. The rosasite and ludwigite structure families.

IF 1.9 3区 化学 Acta Crystallographica Section B-structural Science Pub Date : 2012-04-01 Epub Date: 2012-03-20 DOI:10.1107/S0108768112005125
Frank Girgsdies, Malte Behrens
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引用次数: 14

Abstract

The crystal structures of malachite Cu(2)(OH)(2)CO(3) and rosasite (Cu,Zn)(2)(OH)(2)CO(3), though not isotypic, are closely related. A previously proposed approach explaining this relation via a common hypothetical parent structure is elaborated upon on the basis of group-subgroup considerations, leading to the conclusion that the aristotype of malachite and rosasite should crystallize in the space group Pbam (No. 55). An ICSD database search for actual representatives of this aristotype leads to the interesting observation that the structure type of ludwigite (Mg,Fe)(2)FeO(2)BO(3), which is adopted by several natural and synthetic oxide orthoborates M(3)O(2)BO(3), is closely related to the proposed malachite-rosasite aristotype and thus to the malachite-rosasite family of hydroxide carbonates M(2)(OH)(2)CO(3) in general. Relations within both structure families and their analogies are summarized in a joint simplified Bärnighausen tree.

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孔雀石的结构关系。1 .红石和路德辉石构造科。
孔雀石Cu(2)(OH)(2)CO(3)和红土(Cu,Zn)(2)(OH)(2)CO(3)的晶体结构虽然不是同型的,但却密切相关。先前提出的一种解释这种关系的方法是基于群-亚群的考虑,通过一个共同的假设母结构来阐述的,从而得出孔雀石和红石的亚里士多德型应该在pham空间群中结晶的结论(No. 55)。在ICSD数据库中搜索这种亚里士多德型的实际代表,得出了一个有趣的观察结果,即几种天然和合成的氧化正硼酸盐M(3)O(2)BO(3)采用的ludwigite (Mg,Fe)(2)FeO(2)BO(3)的结构类型与所提出的孔雀石-红褐石亚里士多德型密切相关,因此通常与氢氧碳酸盐M(2)(OH)(2)CO(3)的孔雀石-红褐石家族密切相关。两个结构族之间的关系和它们的类比在一个联合简化的Bärnighausen树中进行了总结。
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来源期刊
自引率
5.30%
发文量
0
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.
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