Core dictionary (coreCIF) version 2.4.5
_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