Bilbao Crystallographic Server Pseudosymmetry search Help Output Full report Pairings |
Full report for the result from the pseudosymmetry search
S_0 | Atom in the initial structure, given by its label and the number of the atom in the orbit. |
S_t | Pair atom in the transformed structure, given by its label and the number of the atom in the orbit. |
Delta x | Distance between the two atoms in the pair along x in relative units. |
Delta y | Distance between the two atoms in the pair along y in relative units. |
Delta z | Distance between the two atoms in the pair along z in relative units. |
Delta abs | Absolute distance between the two atoms in Ångströms. |
At the end of the table are shown the mean, maximal and minimal absolute distance and the deviation.
NOTE: It is possible that atoms form different orbits form a pair. In this case the two group orbits belong to the same supergroup orbit.
(*) The splitting of the Wyckoff positions for a given supergroup-group pair can be obtained using the program WYCKSPLIT.
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