Core dictionary (coreCIF) version 2.3.1

_atom_site_aniso_U_

Names:
'_atom_site_aniso_U_11' '_atom_site_aniso_U_12' '_atom_site_aniso_U_13' '_atom_site_aniso_U_22' '_atom_site_aniso_U_23' '_atom_site_aniso_U_33'

Definition:

   These are the standard anisotropic atomic displacement
   components in angstroms squared which appear in the
   structure-factor term

   T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }

   h = the Miller indices
   a* = the reciprocal-space cell lengths

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

Appears in list containing _atom_site_aniso_label

Related item: _atom_site_aniso_B_

(conversion)

Type: numb

Category: atom_site








































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