Item _atom_site.B_equiv_geom_mean

Description

              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.

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