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提出一种非等效本征重叠衍射强度合理分配的方法———位置待定的原子强度贡献迭代分配法 (IDM UAIC) ,并用已知结构的模拟粉末衍射数据进行了验证 .IDM UAIC利用可靠的晶体学和结构化学知识 ,交替进行结构解析和强度分离 .结果表明 :如果可以通过等效本征重叠足够精确地确定总体散射能力的 30 % ,结构就可能解出 .对于 5 5个 (不含三角晶系用菱形单胞表示的 5种空间群 )强度均分不合理的空间群 ,IDM UAIC具有明显的优越性 ;而对于强度可均分的空间群 ,IDM UAIC与简单均分法等效
A method of rational distribution of non-equivalent intrinsic overlapped diffraction intensity (IDM UAIC) is proposed, which is verified by simulated powder diffraction data of known structure.IDM UAIC makes use of reliable Crystallographic and structural chemistry with alternating structural and intensity separations.The results show that the structure can be solved if the 30% of the total scattering capacity can be determined with sufficient accuracy by the equivalent intrinsic overlap, and for a total of 55 IDM UAIC has obvious advantages for the space group with unreasonable intensity equalization in the five space groups represented by rhombic unit cells in triangular crystal system. IDM UAIC is equivalent to simple equal-sharing method