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Atomic displacement

pd sc cwl tof neut xray

Choose and edit displacement parameters

On Structure → Main, expand Atomic displacement. Choose the representation for each atom site, then edit its isotropic value or independent tensor components. Symmetry-related components remain linked.

For an anisotropic site, the equivalent isotropic value is shown for reference. Use the representation and units shown in the table; converting between B, U and β requires the cell convention. See atomic displacement.

To inspect ellipsoids, choose the displacement display in Appearance.

Inspect anisotropic atomic displacement.

Atomic displacement (3)