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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Analysis of the environment of beryllium, magnesium and alkaline earth atoms in oxygen-containing compounds
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Analysis of the environment of beryllium, magnesium and alkaline earth atoms in oxygen-containing compounds

机译：含氧化合物中铍，镁和碱土原子的环境分析

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摘要

About 2100 inorganic and organometallic compounds containing beryllium, magnesium and alkaline earth atoms (M) were investigated with Voronoi-Dirichlet polyhedra (VDPs). It is shown that the coordination numbers (CNs) of the M atoms in MOn coordination polyhedra can be determined by means of VDPs without crystal-chemical radii. The distributions of the M-O distances in the coordination spheres of the M atoms are bimodal for M = Be or Mg and monomodal for the other alkaline earth metals. Beryllium and magnesium coordination polyhedra containing weak M-O contacts were classified by variants of their distortions. It is found that the volume of the domains of the Mg, Ca, Sr and Ba atoms is independent of their CNs at CN greater than or equal to 6 (up to 16 for barium). The possibility of using the model of deformable spheres to describe the crystal structure of the compounds investigated is suggested. [References: 23]
机译：使用Voronoi-Dirichlet多面体（VDP）研究了大约2100种含有铍，镁和碱土原子（M）的无机和有机金属化合物。结果表明，MOn配位多面体中M原子的配位数（CNs）可以通过无晶体化学半径的VDP确定。 M原子的配位域中M-O距离的分布对于M = Be或Mg是双峰的，对于其他碱土金属是单峰的。含有弱M-O接触的铍和镁配位多面体通过其变形的变体进行分类。发现Mg，Ca，Sr和Ba原子的域的体积与CN大于或等于6（钡最多为16）的CN无关。建议使用可变形球体模型描述所研究化合物的晶体结构的可能性。 [参考：23]

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