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papers [2019/03/04 14:04] – janettatepapers [2019/03/04 14:06] – janettate
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 Yes! Here is the advice from previous years. Yes! Here is the advice from previous years.
 +
 Q. What is a CIF file Q. What is a CIF file
  
Line 77: Line 78:
  
 ''_atom_site_label'' ''_atom_site_label''
 +
 ''_atom_site_type_symbol'' ''_atom_site_type_symbol''
-''_atom_site_fract_x + 
-_atom_site_fract_y +''_atom_site_fract_x'' 
-_atom_site_fract_z + 
-_atom_site_occupancy +''_atom_site_fract_y'' 
-_atom_site_U_iso_or_equiv + 
-Ti1 Ti+4 0 0 0 1 0.0 +''_atom_site_fract_z'' 
-O1 O-2 0.2821 0.2821 0 1 0.0"''+ 
 +''_atom_site_occupancy'' 
 + 
 +''_atom_site_U_iso_or_equiv'' 
 + 
 +''Ti1 Ti+4 0 0 0 1 0.0'' 
 + 
 +''O1 O-2 0.2821 0.2821 0 1 0.0''
  
 Translating the above code into english: “There is a Ti atom at (x,y,z) = (0,0,0) and an O atom at (0.2821a, 0.2821b, 0), where a and b are unit cell dimensions. Translating the above code into english: “There is a Ti atom at (x,y,z) = (0,0,0) and an O atom at (0.2821a, 0.2821b, 0), where a and b are unit cell dimensions.

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