Index

Macromolecular dictionary (mmCIF) version 2.0.09

_atom_site.U_equiv_geom_mean

Name:
'_atom_site.U_equiv_geom_mean'

Definition:

   Equivalent isotropic atomic displacement parameter, U~eq~,
   in angstroms squared, calculated as the geometric mean of
   the anisotropic atomic displacement parameters.

   U~eq~ = (U~i~ U~j~ U~k~)^1/3^

   U~n~ = the principal components of the orthogonalized U^ij^

Type: float

Type conditions: esd

Mandatory item: no

Alias:
_atom_site_U_equiv_geom_mean (cif_core.dic version 2.0.1)
The permitted range is [0.0, 10.0]

Related items: _atom_site.U_equiv_geom_mean_esd (associated_esd)
_atom_site.B_equiv_geom_mean (conversion_constant)

Category: atom_site