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首页> 外文期刊>Acta Crystallographica, Section B. Structural science, crystal engineering and materials >The extended Zintl-Klemm concept, ionic strength I and assessment of the relative stability of lattices using the stability enhancement ratio S
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The extended Zintl-Klemm concept, ionic strength I and assessment of the relative stability of lattices using the stability enhancement ratio S

机译：使用稳定增强比S扩展Zintl-klemm概念，离子强度I和对格子相对稳定性的评估

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摘要

This article examines the comparison between the classical formulations used to describe silicates and that derived from the application of the extended Zintl- Klemm concept (EZKC). The ionic strength, I, for 25 silicate lattices is calculated taking into account both formulations, and the results show that, in every single one of the examples, the ionic strength of the Zintl polyanion is higher than that of the classical model which assigns a formal charge of 4+ for silicon. Our earlier study, firstly applied to the germanate (NH_4)_2Ge~[6][Ge_6~[4]O_(15)] [Vegas & Jenkins (2017). Acta Cryst. B73, 94-100] and to the polyanion [Ge_6~[4]O_(15)]~(6-) equivalent to the pseudo-As_2O_5 derived from it, explained satisfactorily the charge transfer that takes place in the Zintl compounds. The value of I = 1/2Σn_iz_i~2 for the Zintl polyanion was greater than for the compound as formulated in the classical way. In that article, a meaningful relationship was found between the electron transfers as defined by the EZKC and the ionic strength I of the anion [Ge_6~[4]O_(15)]~(6-) ≡ ψ-As_2O_5. Because the ionic strength, I, of a lattice is directly proportional to the lattice potential energy, U_(POT), the higher the I the greater the UPOT; thus it is harder to break up the lattice into its constituent ions and hence the lattice itself is more stable, giving support to the idea that the application of the EZKC and the resulting electron shifts yields structures which are inherently thermodynamically more stable than the starting configuration.
机译：本文介绍了用于描述偶然的经典配方之间的比较，并从扩展ZINTL-KLEMM概念（EZKC）的应用得出。考虑到两种制剂，计算离子强度，I，对于25个硅酸盐格子，结果表明，在每个单一的实施例中，Zintl Polyanion的离子强度高于分配A的经典模型的离子强度硅的正式费用4+。我们之前的研究，首先应用于德国（NH_4）_2GE〜[6] [GE_6〜[4] O_（15）] [Vegas＆Jenkins（2017）。 acta晶体。 B73,94-100]和PolyAnion [Ge_6〜[4] O_（15）]〜（6-）相当于衍生自衍生的伪AS_2O_5，令人满意地解释在Zintl化合物中发生的电荷转移。 Zintl Polyanion的I = 1 /2σn_iz_I〜2的值大于以经典方式配制的化合物。在该文章中，在EZKC定义的电子转移和阴离子的离子强度I之间发现了有意义的关系[Ge_6〜[4] O_（15）]〜（6-）≡≡-AS_2O_5。因为离子强度，我的晶格与晶格势能直接成比例，u_（锅），较高的椭圆形越高;因此，将晶格分解成其组成离子更难，因此晶格本身更稳定，给予思想的想法，即EZKC的应用和所得到的电子移位产生的结构，其具有与起始配置具有固有的热力学上更稳定的结构。

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