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- { BiF3 }
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- Make cube dimensions 5.12 A.
- Make atoms full scale.
- Place Bi3+ atoms at the corners of the cube.
- Place Bi3+ atoms on the faces of the cube.
- Place an F- atom at the center of the cube.
- Place F- atoms on the edges of the cube.
- Place F- atoms at (0.25,0.25,0.25), (0.25,0.25,0.75).
- Place F- atoms at (0.25,0.75,0.25), (0.25,0.25,0.75).
- Place F- atoms at (0.75,0.25,0.25), (0.25,0.25,0.75).
- Place F- atoms at (0.75,0.75,0.25), (0.25,0.25,0.75).
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