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    • Overall values of conventional discrepancy indices for related and unrelated models of a non-centrosymmetric crystal with a centrosymmetric group

      M N Ponnuswamy S Parthasarathy

      Crystallography Volume 17 Issue 1 July 1981 pp 69-80

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      https://www.ias.ac.in/article/fulltext/pram/017/01/0069-0080

    • Keywords

       

      Conventional discrepancy indices; noncentrosymmetric crystal; centrosymmetric group; local mean intensity

    • Abstract

       

      Theoretical expressions for the overall values of the conventional discrepancy indicesR(F) andR(I) are derived for a non-centrosymmetric crystal with a centrosymmetric group by taking the centrosymmetric group and a part of the other atoms in the unit cell as the trial structure. These results are used to obtain tables of values of these indices in terms of the parameter σ1c2 and σ12 which define the fractional contribution to the local mean intensity from the centrosymmetric group and all the known atoms respectively.

    • Author Affiliations

       

      M N Ponnuswamy1 S Parthasarathy1

      1. Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Madras - 600 025, India

    • Dates

       
      Published
      12 July 1981
      Manuscript received
      15 December 1980

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