(1. 山东大学 材料科学与工程学院 材料液态结构及其
遗传性教育部重点实验室，济南 250061；
2. 佳木斯大学 材料科学与工程学院，佳木斯 154000)
摘 要: 对α-Al2O3的晶体结构进行了详细的讨论，通过各种立体插图，对比分析了α-Al2O3的菱面体晶胞和六方晶胞，并对每种晶胞中各种原子的排列位置进行了深入分析，确定了某一具体位置的O2-或Al3+与其它离子之间的主要键距，最后根据“固体与分子经验电子理论(EET)”计算出了α-Al2O3晶体的价电子结构，并以图示的方式把主要的键及键距标示在图中，使能直观地看到α-Al2O3晶体中最强键及次强键等在晶体中的方位，便于分析α-Al2O3的结构与性能的相互关系。
关键字: α-Al2O3；晶体结构；价电子结构
（1. The Key Laboratory of Ministry of Education for Liquid Structure and
Heredity of Materials, College of Materials Science and Engineering,
Shandong University, Ji′nan 250061, China;
2. College of Materials Science and Engineering, Jiamusi University，
Jiamusi 154000, China）
Abstract:The crystal structure of α-Al2O3 was discussed in detail. The rhombohedron crystal cell and the hexagonal cell of α-Al2O3 were analyzed with different three-dimensional illustrations, and the location of ions of both cells were analyzed in depth, by which the distances of main bonds, between O2- ions and Al3+ ions, were determined. The valence electron structure of α-Al2O3 were finally calculated out by means of the “EET” (the empirical electron theory of solids and molecules) theory, and the main bonds and their distances were illustrated, which help us to observe the location of main bonds in the cell and analyze the relation of structure and properties of α-Al2O3 expediently.
Key words: α-Al2O3; crystal structure; valence electron structure
