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利用最近发表的固体与分子经验电子理论,根据已有的晶体结构资料,对ε-Fe_3C的价电子结构进行了分析。通过键距差分析和原子磁距等两方面的论证得出结论:1.在ε-Fe_3C中,碳原子处于第6杂阶,Fe原子处于甲种杂化的第11阶; 2.它具有n_4(Fe-c)键,且有n_A=0.8440;3.n_A键在空间分布极为规则,形成三维的规则的网状结构,预期该结构应有大的机械强度和低温稳定性;4.就机械强度和硬度来说ε-Fe_3C可能比渗碳体Fe_3C小些,但由于前者的n_A键比后者在空间分布更为均衡,故ε-Fe_3C可能不像渗碳体Fe_3C那样脆。
Based on the recently published solid and molecular empirical electron theory, the valence electron structures of ε-Fe_3C were analyzed based on the existing crystal structure data. The conclusions are as follows: 1. In ε-Fe_3C, the carbon atom is in the 6th order and the Fe atom is in the 11th order of the A-species hybridization. 2. It has n_4 (Fe-c) bond, and n_A = 0.8440; 3.n_A bond in the space is very regular distribution, the formation of three-dimensional regular network structure, the structure should be expected to have large mechanical strength and low temperature stability; Ε-Fe 3 C may be smaller than that of cementite Fe 3 C due to its mechanical strength and hardness. However, ε-Fe 3 C may not be as brittle as cementite Fe 3 C due to its more balanced spatial distribution than the latter.