物理化学学报 >> 1989, Vol. 5 >> Issue (01): 107-109.doi: 10.3866/PKU.WHXB19890123

研究简报 上一篇    

如何用一般反射规定原点和选择对映体

侯永康;傅亨   

  1. 中国科学院化学研究所,北京
  • 收稿日期:1987-05-11 修回日期:1988-04-16 发布日期:1989-02-15
  • 通讯作者: 侯永康

How to Specify Origin and Enantiamorph with General Reflections

Hou Yong-Kang;Fu Heng   

  1. Institute of Chemistry, Academia Sinica
  • Received:1987-05-11 Revised:1988-04-16 Published:1989-02-15
  • Contact: Hou Yong-Kang

Abstract: For non-centrosymmetric crystal structures, it is usually uses as many specila refletions as possible to define origin and enantiamorph. But in some cases, special reflections may be not enough or may be not in good quality to specify origin and enantiamorph so questions about specifying origin and enantiamorph with general reflections are discussed in this paper. Origin definition reflections of any space groups are differentiated into absolute freedoms and relative freedoms so that the problem of assigning values to the general refection phases for specifying origin is able to be solved. The concept of freedom is also used in enantiamorph specification. Two cases about enantiamorph specification relection related to or not related to origin definition refections are disecussed respectively. In both cases enantiamorph specification can be realized through two steps: (1) Chosing the signs of a certain number of structurral invariants (2) On the basis of step one, making restrictins to the amplitudes and phase signs of the invariant's component reflections.