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列举16 例按P1 解出的晶体结构,其空间群应描述为单斜晶系的C2/c,并讨论从P1 修正为三方的R3 和四方的I41/a 的晶体结构各1 例。分析揭示判断失误的线索。最后强调在结构报告中完整发表原子坐标数据的重要意义。
The crystal structure of P1 according to P1 is listed. The space group should be described as monoclinic C2 / c, and the crystal structures of R3 and tetragonal I41 / a modified from P1 to 1 and the crystal structure of I41 / a are discussed. Analyze clues that reveal errors of judgment. Finally, it emphasizes the importance of publishing atomic coordinate data in structure reports.