双波长双相角结构不变量的比邻原理

本文得到双波长双相角结构不变量一级比邻(Neighborhood)的一个严格解.对比计算及加随机误差计算表明,文献5]的初级近似方法是简明可靠的.Hauptman做出的双相角结构不变量只与化学组成有关的结论在双波长情况实际上仍然有效.提出一个快速计算方案. 关键词：

TWO-WAVELENGTH NEIGHBORHOOD PRINCIPLE OF TWO-PHASE STRUCTURE INVARIANTS

An approximate result of first neighborhood is given in ref 5] . In consideration of the importance of strict treatment about this problem, a new formula is derived. According to the computational comparision between the two formulas, it can be concluded that the approximate method in ref 5] is very simple, convenitnt and reliable. It is also concluded by adding random errors to the magnitudes of normalized structure factors that Hauptman's conclusion, namely, the two-phase structure invariants are only dependent on chemical composition and independent of the structure factors, is still correct in the two-wavelength case. Considering this fact, we suggest a fast computational method of the two-wavelength struc-ture invariants which may be useful in practical macrostructure crystallography.