Differences
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| Both sides previous revisionPrevious revision | Next revisionBoth sides next revision | ||
| papers [2019/03/04 14:04] – janettate | papers [2019/03/04 14:04] – janettate | ||
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| 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_y | _atom_site_fract_y | ||
| _atom_site_fract_z | _atom_site_fract_z | ||
| Line 84: | Line 84: | ||
| _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. | ||
