(1. 山東大學(xué) 材料科學(xué)與工程學(xué)院 材料液態(tài)結(jié)構(gòu)及其
遺傳性教育部重點(diǎn)實(shí)驗(yàn)室，濟(jì)南 250061；
2. 佳木斯大學(xué) 材料科學(xué)與工程學(xué)院，佳木斯 154000)
摘 要: 對(duì)α-Al2O3的晶體結(jié)構(gòu)進(jìn)行了詳細(xì)的討論，通過(guò)各種立體插圖，對(duì)比分析了α-Al2O3的菱面體晶胞和六方晶胞，并對(duì)每種晶胞中各種原子的排列位置進(jìn)行了深入分析，確定了某一具體位置的O2-或Al3+與其它離子之間的主要鍵距，最后根據(jù)“固體與分子經(jīng)驗(yàn)電子理論(EET)”計(jì)算出了α-Al2O3晶體的價(jià)電子結(jié)構(gòu)，并以圖示的方式把主要的鍵及鍵距標(biāo)示在圖中，使能直觀地看到α-Al2O3晶體中最強(qiáng)鍵及次強(qiáng)鍵等在晶體中的方位，便于分析α-Al2O3的結(jié)構(gòu)與性能的相互關(guān)系。
關(guān)鍵字: α-Al2O3；晶體結(jié)構(gòu)；價(jià)電子結(jié)構(gòu)
ZHANG Jin-sheng1, MENG Fan-qin2
（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
