Monoclinic Cell Rotation for Surface Calculations

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SUMMARY

The discussion focuses on the need to rotate a monoclinic cell with dimensions a=18.7, b=3.55, c=9.069 and beta=134 degrees to align the c-axis with the z-axis for surface calculations. The user seeks a rotation matrix to achieve this transformation, emphasizing the importance of the initial coordinate system in determining the appropriate matrix. The solution involves applying a specific rotation matrix based on the defined parameters.

PREREQUISITES
  • Understanding of monoclinic crystal systems
  • Familiarity with rotation matrices in three-dimensional space
  • Knowledge of coordinate transformations
  • Basic principles of surface calculations in crystallography
NEXT STEPS
  • Research the derivation of rotation matrices for monoclinic cells
  • Learn about coordinate transformations in crystallography
  • Explore software tools for surface calculations in crystallography
  • Study the implications of vacuum introduction in surface modeling
USEFUL FOR

Crystallographers, materials scientists, and researchers involved in surface calculations and crystal structure analysis will benefit from this discussion.

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Dear All,
I have a monoclinic cell with
a=18.7,b=3.55,c=9.069

and beta=134 degrees, angle between a and c. Now I need to make the c axis parallel to z axis for surface calculations, ie to introduce a vacuum. What is the rotation matrix that would do this??
Thank you.
 
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Depends on what your initial coordinate system is...
 

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