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首页> 外文期刊>Acta Crystallographica, Section B. Structural science, crystal engineering and materials >Structural complexity of natural uranyl sulfates
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Structural complexity of natural uranyl sulfates

机译：天然铀酰硫酸盐的结构复杂性

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Uranyl sulfates, including those occurring in Nature (~40 known members), possess particularly interesting structures. They exhibit a great dimensional and topological diversity of structures: from those based upon clusters of polyhedra to layered structures. There is also a great variability in the type of linkages between U and S polyhedra. From the point of view of complexity of those structures (measured as the amount of Shannon information per unit cell), most of the natural uranyl sulfates are intermediate (300-500 bits per cell) to complex (500-1000 bits per cell) with some exceptions, which can be considered as very complex structures (>1000 bits per cell). These exceptions are minerals alwilkinsite-(Y) (1685.95 bits per cell), sejkoraite-(Y) (1859.72 bits per cell), and natrozippeite (2528.63 bits per cell). The complexity of these structures is due to an extensive hydrogen bonding network which is crucial for the stability of these mineral structures. The hydrogen bonds help to propagate the charge from the highly charged interlayer cations (such as Y~(3+)) or to link a high number of interlayer sites (i.e. five independent Na sites in the monoclinic natrozippeite) occupied by monovalent cations (Na~+). The concept of informational ladder diagrams was applied to the structures of uranyl sulfates in order to quantify the particular contributions to the overall informational complexity and identifying the most contributing sources (topology, real symmetry, interlayer bonding).
机译：硫酸盐，包括在性质中发生的铀酸盐（约40名已知成员）具有特别有趣的结构。它们表现出巨大的尺寸和拓扑多样性的结构：从基于多面体簇到分层结构的那些。 U和S Polyhedra之间的联系类型也有很大的变化。从那些结构的复杂性的角度来看（测量为每单位细胞的香农信息的量），大多数天然铀酰硫酸盐是中间体（每种细胞300-500位）至复合物（每个细胞500-1000比特）一些例外，可以被视为非常复杂的结构（每个单元格> 1000位）。这些例外是矿物质阿尔维尔基突 - （y）（1685.95位，每种细胞1685.95位），Sejkoraite-（Y）（每种细胞1859.72位）和Natrozippeite（每个细胞2528.63位）。这些结构的复杂性是由于广泛的氢键网络，这对于这些矿物结构的稳定性至关重要。氢键有助于将电荷从高度带电的层间阳离子（如y〜（3+））传播，或者将大量中间位点（即单斜阳离子占用的单斜叶虫中的五个独立Na位点连接（Na 〜+）。信息梯形图的概念应用于硫酸铀醛的结构，以量化整体信息复杂性的特定贡献，并确定最大的贡献来源（拓扑，真实对称，层间键合）。

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