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Conventional cells: monoclinic I- and C-centered cells.

Alan D Mighell1

  • 1Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899-8520, USA. alan.mighell@nist.gov

Acta Crystallographica. Section B, Structural Science
|March 27, 2003
PubMed
Summary

Crystallographers should use I-centered cells as the conventional cell in the monoclinic system when applicable. This approach simplifies data analysis and ensures consistency in crystallographic studies.

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Area of Science:

  • Crystallography
  • Solid-state chemistry

Background:

  • The monoclinic crystal system presents challenges in conventional cell selection.
  • Current practices often lead to non-conventional cell choices, complicating data interpretation.

Purpose of the Study:

  • To recommend the optimal centered cell selection for the monoclinic system.
  • To advocate for the discontinuation of non-conventional cell choices.

Main Methods:

  • Analysis of crystallographic conventions for the monoclinic system.
  • Evaluation of translation vectors in relation to cell centering.

Main Results:

  • Identification of specific cases where an I-centered cell is the conventional cell.
  • Demonstration that 'a' and 'c' translations align with the shortest net translations perpendicular to 'b' in these cases.

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Conclusions:

  • Recommends adopting I-centered cells as the standard conventional cell in identified monoclinic cases.
  • Discourages the use of non-conventional C-centered cells to improve crystallographic workflow.