Bilbao Crystallographic Server Pseudosymmetry search Help Output Full report Displacements

PSEUDO - a Program for a Pseudosymmetry Search

Full report for the result from the pseudosymmetry search

Displacements

The displacements of the atoms necessary to obtain a structure with symmetry given by the supergroup are calculated using the values for the distances between the atoms in the pairs for each one of the cosets.(*)

The displacements in Ångströms are given in a table with columns:
Atom Atom label in the form [chemical element][number]_[number in the orbit]
Displacements Atomic displacements along the three directions (x,y,z) with the corresponding signs, and the absolute displacement for the atom.

The high symmetry position of a given atom is obtained by adding the calculated displacement to the initial position of the atom.

NOTE, that the displacements are given in Ångströms and the coordinates of the atoms are given in relative units.

[Pairings] [TOC] [High Symmetry Structure]
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