两种复杂亚硫酸盐结构的比较模块化分析:铜辉石Cu(Ag,Cu)3Pb19(Sb,As)22(As-As)S56和副辉石Ag4Pb20(Sb,As)24S58。

IF 1.9 3区 化学
Yves Moëlo, Catherine Guillot-Deudon, Michel Evain, Paolo Orlandi, Cristian Biagioni
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引用次数: 16

摘要

研究了两种非常接近但又截然不同的亚硫酸铅族复合矿物的晶体结构:铜(Ag,Cu)(3)Pb(19)(Sb,As)(22)(As-As)S(56)和副晶(Ag (4)Pb(20)(Sb,As)(24)S(58)。采用模块化分析的方法对它们进行了分析比较。基本构件是一个复杂的柱,以Pb(6)S(12)三角形棱柱核心为中心,有两个额外的长臂和短臂。主要的化学和拓扑差异与短臂有关,短臂会导致本构杆层的相对a/4位移(沿着延伸参数~2 Å),这可以通过相同空间组(分别为P2(1)/n和P2(1)/c)内不同的细胞设置来说明。选择最短(即最强)的(Sb,As)-S键可以增强(Sb,As)原子的三角锥体配位的聚合组织。这两种准同型结构是owyheeite Ag(3)Pb(10)Sb(11)S(28)的扩展衍生物。从零到三维实体的组织层次从属于建筑经营者,成为这种复杂结构建设的驱动力。小的阳离子(Ag, Cu)或在三晶中As-As对确保最终锁定,这有利于形成一个或另一个化合物。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Comparative modular analysis of two complex sulfosalt structures: sterryite, Cu(Ag,Cu)3Pb19(Sb,As)22(As-As)S56, and parasterryite, Ag4Pb20(Sb,As)24S58.

The crystal structures of two very close, but distinct complex minerals of the lead sulfosalt group have been solved: sterryite, Cu(Ag,Cu)(3)Pb(19)(Sb,As)(22)(As-As)S(56), and parasterryite, Ag(4)Pb(20)(Sb,As)(24)S(58). They are analyzed and compared according to modular analysis. The fundamental building block is a complex column centred on a Pb(6)S(12) triangular prismatic core, with two additional long and short arms. The main chemical and topological differences relate to the short arm, which induces a relative a/4 shift (~2 Å along the elongation parameter) of the constitutive rod layers, as illustrated by distinct cell settings within the same space group (P2(1)/n and P2(1)/c, respectively). Selection of the shortest (i.e. strongest) (Sb,As)-S bonds permitted to enhance the polymeric organization of (Sb,As) atoms with triangular pyramidal coordination. These two quasi-homeotypic structures are expanded derivatives of owyheeite, Ag(3)Pb(10)Sb(11)S(28). The hierarchy of organization levels from zero- to three-dimensional entities is subordinated to building operators, which appear as the driving force for the construction of such complex structures. Minor cations (Ag, Cu) or the As-As pair in sterryite secure the final locking, which favours the formation of one or the other compound.

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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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