Index

Core dictionary version 3.3.0

_atom_site_aniso.beta_22

Definition:

   
     These are the standard unitless anisotropic atomic displacement components
     which appear in the structure factor term

     T = exp{-1 sum~i~ [ sum~j~ (β^ij^ h~i~ h~j~) ] }

     h = the Miller indices

     The unique elements of the real symmetric matrix are entered by row.

     The IUCr Commission on Nomenclature recommends against the use
     of β for reporting atomic displacement parameters; U is preferred.

     Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^).

     Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781.

Type: Real

Units: none

Category:
atom_site_aniso