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Space-group changes: a revision to a revision.

R E Marsh1, R A Sparks

  • 1The Beckman Institute, California Institute of Technology, Pasadena, CA 91125, USA. rem@xray.caltech.edu

Acta Crystallographica. Section B, Structural Science
|September 28, 2001
PubMed
Summary

Crystallographic data for FEBMUU and FEBMUU01 entries in the Cambridge Structural Database require correction. The space group should be C2/c, not P1 or C2.

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Use of software to search for higher symmetry: space group C2.

Acta crystallographica. Section B, Structural science·2001

Area of Science:

  • Crystallography
  • Materials Science
  • Chemical Databases

Background:

  • Accurate crystallographic data is crucial for understanding material properties.
  • The Cambridge Structural Database (CSD) is a key resource for crystal structures.

Purpose of the Study:

  • To correct erroneous space group assignments for specific entries in the CSD.
  • To ensure the integrity and accuracy of crystallographic information.

Main Methods:

  • Review of crystallographic data.
  • Comparison with established crystallographic conventions.
  • Correction of space group information.

Main Results:

  • Identified incorrect space group assignments for FEBMUU (P1) and FEBMUU01 (C2).
  • Determined the correct space group to be C2/c for both entries.

Conclusions:

  • The space group for FEBMUU and FEBMUU01 entries in the 1992 CSD release should be C2/c.
  • Corrected crystallographic data enhances the reliability of the CSD.

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