Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
papers [2019/03/04 14:03] – janettate | papers [2019/03/04 14:05] – janettate | ||
---|---|---|---|
Line 76: | Line 76: | ||
Here is some of the text from a CIF file describing anatase TiO2: | Here is some of the text from a CIF file describing anatase TiO2: | ||
- | '' | + | '' |
- | _atom_site_type_symbol | + | |
+ | '' | ||
_atom_site_fract_x | _atom_site_fract_x | ||
_atom_site_fract_y | _atom_site_fract_y | ||
Line 84: | Line 85: | ||
_atom_site_U_iso_or_equiv | _atom_site_U_iso_or_equiv | ||
Ti1 Ti+4 0 0 0 1 0.0 | Ti1 Ti+4 0 0 0 1 0.0 | ||
- | O1 O-2 0.2821 0.2821 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. |