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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Anion packing density: a universal quantity for both dense and porous crystalline inorganic phases
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Anion packing density: a universal quantity for both dense and porous crystalline inorganic phases

机译：阴离子堆积密度：稠密和多孔结晶无机相的通用量

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To compare densities of inorganic high-pressure phases their molal volumes or specific gravities are usually employed, whereas for zeolites and other microporous materials the so-called framework density, FD, is applied. The definition of FD, which refers only to phases with three-dimensional tetrahedron frameworks, is extended to a 'generalized framework density' d(f), which is independent of the dimensionality of the framework and the coordination number(s) of the framework cations. In this paper the anion packing density, d(ap), is introduced as a new quantity which is not only applicable to any inorganic phase but, in contrast to FD and df, also allows quantitative comparisons to be made for crystalline inorganic phases of any kind. The anion packing density can readily be calculated if the volume and content of the unit cell and the radii of the anions of a phase are known. From dap values calculated for high-pressure silica polymorphs studied under very high pressure, it is concluded that Shannon-Prewitt effective ionic radii do not sufficiently take into account the compressibility of the anions. [References: 39]
机译：为了比较无机高压相的密度，通常采用摩尔体积或比重，而沸石和其他微孔材料则采用所谓的骨架密度FD。 FD的定义（仅指具有三维四面体框架的相）被扩展为“广义框架密度” d（f），其与框架的维数和框架的配位数无关阳离子。在本文中，阴离子填充密度d（ap）作为新的量引入，它不仅适用于任何无机相，而且与FD和df相比，还可以定量比较任何无机物的结晶无机相。类。如果已知晶胞的体积和含量以及某相阴离子的半径，则可以很容易地计算出阴离子堆积密度。根据在非常高压下研究的高压二氧化硅多晶型物的dap值，得出的结论是Shannon-Prewitt有效离子半径没有充分考虑到阴离子的可压缩性。 [参考：39]

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