Index

Core dictionary (coreCIF) version 2.4.5

_atom_site_U_equiv_geom_mean

Name:
'_atom_site_U_equiv_geom_mean'

Definition:

   Equivalent isotropic atomic displacement parameter, U(equiv),
   in angstroms squared, calculated as the geometric mean of
   the anisotropic atomic displacement parameters.

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

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

Appears in list containing _atom_site_label
The permitted range is 0.0 -> infinity

Related items : _atom_site_U_iso_or_equiv (alternate)
_atom_site_B_equiv_geom_mean (conversion)

Type: numb

Category: atom_site