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clwl

银虫 (小有名气)

[求助] 蒙脱石中氧原子的电荷怎么分配?

蒙脱石中氧原子的电荷怎么分配?
在《脱石层间结构的分子力学和分子动力学模拟研究》这篇硕士论文中,提到了怎么构建蒙脱石的模型,文章中提到了3中氧原子:八面体氧、四面体氧和端氧。其中四面体氧很容易找出,但是不清楚怎么区分八面体氧和端氧?
连着氢原子的氧算八面体氧还是端氧?
一边连着Si,另一边连着Al的氧算八面体氧还是端氧?
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Sophiezx45

金虫 (小有名气)

楼主 你现在能分清楚了吗?我现在遇到同样的问题,分不清哪个是端氧哪个是八面体氧,急求答案!!!求告知,万分感谢~
2楼2015-03-31 20:06:05
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