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An atom at a special position usually has (at most) an occupancy of 0.5. However, it may happen that more than one symmetry operator maps the special position upon itself; in that case the occupancy is 1/(number of symmetry operators mapping point onto itself). Ths, a point on a n-fold rotation axis has (maximum) occupancy of 1/n. | An atom at a special position usually has (at most) an occupancy of 0.5. However, it may happen that more than one symmetry operator maps the special position upon itself; in that case the occupancy is 1/(number of symmetry operators mapping point onto itself). Ths, a point on a n-fold rotation axis has (maximum) occupancy of 1/n. | ||
In space group | In space group P2<sub>1</sub>, there are no special positions - the Eigenproblem has no solution. | ||
== Reciprocal space == | == Reciprocal space == |