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Text File  |  1988-07-17  |  1021 b   |  26 lines
  1.  
  2.      { KMgF3 }
  3.  
  4. Make lattice dimensions 5.38, 5.38, 8.44 A.
  5. Make atoms full scale.
  6. Place Mg2+ atoms at the corners of the lattice.
  7. Place an Mg2+ atom at the center of the lattice.
  8. Place Mg2+ atoms at (0,0,0.5), (0,1,0.5), (1,0,0.5), (1,1,0.5).
  9. Place Mg2+ atoms at (0.5,0.5,0), (0.5,0.5,1).
  10. Color K+ atoms red.
  11. Place K+ atoms at (0,0.5,0.25), (0,0.5,0.75).
  12. Place K+ atoms at (1,0.5,0.25), (1,0.5,0.75).
  13. Place K+ atoms at (0.5,0,0.25), (0.5,0,0.75).
  14. Place K+ atoms at (0.5,1,0.25), (0.5,1,0.75).
  15. Color F- atoms green.
  16. Place F- atoms at (0,0,0.25), (0,0,0.75).
  17. Place F- atoms at (0,1,0.25), (0,1,0.75).
  18. Place F- atoms at (1,0,0.25), (1,0,0.75).
  19. Place F- atoms at (1,1,0.25), (1,1,0.75).
  20. Place F- atoms at (0.25,0.25,0), (0.25,0.25,0.5), (0.25,0.25,1).
  21. Place F- atoms at (0.25,0.75,0), (0.25,0.75,0.5), (0.25,0.75,1).
  22. Place F- atoms at (0.75,0.25,0), (0.75,0.25,0.5), (0.75,0.25,1).
  23. Place F- atoms at (0.75,0.75,0), (0.75,0.75,0.5), (0.75,0.75,1).
  24. Place F- atoms at (0.5,0.5,0.25), (0.5,0.5,0.75).
  25.  
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