Index

Core dictionary version 3.3.0

_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 orthogonalized 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