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KMGF3.TXT
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1988-07-17
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{ KMgF3 }
Make lattice dimensions 5.38, 5.38, 8.44 A.
Make atoms full scale.
Place Mg2+ atoms at the corners of the lattice.
Place an Mg2+ atom at the center of the lattice.
Place Mg2+ atoms at (0,0,0.5), (0,1,0.5), (1,0,0.5), (1,1,0.5).
Place Mg2+ atoms at (0.5,0.5,0), (0.5,0.5,1).
Color K+ atoms red.
Place K+ atoms at (0,0.5,0.25), (0,0.5,0.75).
Place K+ atoms at (1,0.5,0.25), (1,0.5,0.75).
Place K+ atoms at (0.5,0,0.25), (0.5,0,0.75).
Place K+ atoms at (0.5,1,0.25), (0.5,1,0.75).
Color F- atoms green.
Place F- atoms at (0,0,0.25), (0,0,0.75).
Place F- atoms at (0,1,0.25), (0,1,0.75).
Place F- atoms at (1,0,0.25), (1,0,0.75).
Place F- atoms at (1,1,0.25), (1,1,0.75).
Place F- atoms at (0.25,0.25,0), (0.25,0.25,0.5), (0.25,0.25,1).
Place F- atoms at (0.25,0.75,0), (0.25,0.75,0.5), (0.25,0.75,1).
Place F- atoms at (0.75,0.25,0), (0.75,0.25,0.5), (0.75,0.25,1).
Place F- atoms at (0.75,0.75,0), (0.75,0.75,0.5), (0.75,0.75,1).
Place F- atoms at (0.5,0.5,0.25), (0.5,0.5,0.75).