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CRYSTAL.LZH
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CAC2.TXT
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1988-07-08
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743b
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20 lines
{ CaC2 }
Make lattice dimensions 3.87, 3.87, 6.37 A.
Make atoms full scale.
Place Ca2+ atoms at the corners of the cube.
Place Ca2+ atoms on the faces of the cube.
Place C atoms at (0,0,0.406), (0,0,0.594).
Place C atoms at (0,1,0.406), (0,1,0.594).
Place C atoms at (1,0,0.406), (1,0,0.594).
Place C atoms at (1,1,0.406), (1,1,0.594).
Place C atoms at (0,0.5,0.906), (0,0.5,1.094).
Place C atoms at (0,0.5,-0.094), (0,0.5,0.094).
Place C atoms at (0.5,0,0.906), (0.5,0,1.094).
Place C atoms at (0.5,0,-0.094), (0.5,0,0.094).
Place C atoms at (1,0.5,0.906), (1,0.5,1.094).
Place C atoms at (1,0.5,-0.094), (1,0.5,0.094).
Place C atoms at (0.5,1,0.906), (0.5,1,1.094).
Place C atoms at (0.5,1,-0.094), (0.5,1,0.094).