The co-ordination number rule and the rule of hardness, powerful tools to rationalize inorganic structures
The co-ordination number rule and the rule of hardness, powerful tools to rationalize inorganic structures
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配位数法则和硬度法则，无机结构合理化的有力工具
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发表时间：
2014
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通讯作者：
H. Beck
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作者：
H. Beck
摘要为了使无机配位结构合理化，详细提出了配位数规则和硬度规则。我们演示了如何即使是非常复杂的结构可以理解，有时预测从初级配位数的阳离子。我们提醒读者阳离子和阴离子配位数之间的关系及其在推导Niggli类型连接性公式中的用途。我们展示了离子的硬度如何决定它们在结构中的特定位置。此外，我们推导出一个措施的隔离的不同的离子的结构内，也是他们的静电不平衡有关的鲍林规则的电荷总和，我们解释这种结构的细节的背景下，简单的数字关系的协调数与特定的“化学”效应。
Abstract The co-ordination number rule and the rule of hardness are developed in detail to rationalize inorganic co-ordination structures. We demonstrate how even very complex structures can be understood and sometimes predicted starting from primary co-ordination numbers of cations only. We remind the reader of relations between cation and anion co-ordination numbers and their use for the derivation of connectivity formulas of a Niggli type. We show how the hardness of the ions is responsible for their particular position within a structure. Furthermore, we derive a measure of segregation of the different ions within the structures and also of their electrostatic imbalance in relation to Pauling’s rule of charge sums, and we interpret such structural details in the context of simple numeric relations of co-ordination numbers together with specific “chemical” effects.