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Text File  |  1988-07-08  |  743 b   |  20 lines
  1.  
  2.      { CaC2  }
  3.  
  4. Make lattice dimensions 3.87, 3.87, 6.37 A.
  5. Make atoms full scale.
  6. Place Ca2+ atoms at the corners of the cube.
  7. Place Ca2+ atoms on the faces of the cube.
  8. Place C atoms at (0,0,0.406), (0,0,0.594).
  9. Place C atoms at (0,1,0.406), (0,1,0.594).
  10. Place C atoms at (1,0,0.406), (1,0,0.594).
  11. Place C atoms at (1,1,0.406), (1,1,0.594).
  12. Place C atoms at (0,0.5,0.906), (0,0.5,1.094).
  13. Place C atoms at (0,0.5,-0.094), (0,0.5,0.094).
  14. Place C atoms at (0.5,0,0.906), (0.5,0,1.094).
  15. Place C atoms at (0.5,0,-0.094), (0.5,0,0.094).
  16. Place C atoms at (1,0.5,0.906), (1,0.5,1.094).
  17. Place C atoms at (1,0.5,-0.094), (1,0.5,0.094).
  18. Place C atoms at (0.5,1,0.906), (0.5,1,1.094).
  19. Place C atoms at (0.5,1,-0.094), (0.5,1,0.094).
  20.