Interpret Wyckoff Positions: Crystal Class Coordinates

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SUMMARY

The discussion focuses on interpreting Wyckoff positions within the international table of crystallography, specifically regarding the coordinates (x, y, z). These coordinates are indeed normalized with respect to the axes of the conventional unit cell, denoted as a, b, and c. The clarification emphasizes that high symmetry Wyckoff positions often exhibit fractional coordinates such as 1/2, 1/3, or 1/4, confirming their normalization to lattice parameters.

PREREQUISITES
  • Understanding of crystallography concepts
  • Familiarity with Wyckoff positions
  • Knowledge of unit cell parameters in crystal structures
  • Basic grasp of normalized coordinates in crystallographic contexts
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  • Research the significance of high symmetry Wyckoff positions in crystallography
  • Study the conventions of the international table of crystallography
  • Learn about lattice parameters and their role in crystal structure analysis
  • Explore the implications of normalized coordinates in crystallographic calculations
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Crystallographers, materials scientists, and students of crystallography seeking to deepen their understanding of Wyckoff positions and their implications in crystal structure analysis.

tirrel
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Hello, maybe this is a silly question. I wanted to ask how to interpret the Wyckoff positions in the international table of crystallography (I am new to them). In particular, I see three coordinates (x,y,z). I wanted to be sure that these are the (normalized) coordinates with respect to the axes of the conventional unit cell given by the respective crystal class, usually called a, b,c.

Maybe it's trivial but I could not find the answer till now.

Thanks a lot,
Tirrel
 
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Yes, (xyz) are normalized to the lattice parameters. You can easily see that when you look at special, high symmetry Wyckoff positions that usually have coordinates like 1/2, 1/3 or 1/4.
 

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