Index

Core dictionary version 3.0.14

_atom_site.B_equiv_geom_mean

Definition:

   
     Equivalent isotropic atomic displacement parameter, B(equiv),
     in angstroms squared, calculated as the geometric mean of
     the anisotropic atomic displacement parameters.
 
             B(equiv) = (B~i~ B~j~ B~k~)^1/3^
 
     B~n~  = the principal components of the orthogonalised B^ij^
 
     The IUCr Commission on Nomenclature recommends against the use
     of B for reporting atomic displacement parameters. U, being
     directly proportional to B, is preferred.

Type: Real

Units: angstrom_squared

Category:
atom_site