Core dictionary (coreCIF) version 2.3.1

Category VALENCE_PARAM

Name:
'_valence_param_[]'

Definition:

   Data items in the VALENCE_PARAM category define the
   parameters used for calculating bond valences from bond
   lengths.  In addition to the parameters, a pointer
   is given to the reference (in VALENCE_REF) from which
   the bond-valence parameters were taken.
Example:

Example 1 - a bond-valence parameter list with accompanying references. 
 
    loop_
    _valence_param_id
    _valence_param_atom_1
    _valence_param_atom_1_valence
    _valence_param_atom_2
    _valence_param_atom_2_valence
    _valence_param_Ro
    _valence_param_B
    _valence_param_ref_id
    _valence_param_details
      1   Cu 2 O -2 1.679 0.37 a .
      2   Cu 2 O -2 1.649 0.37 j .
      3   Cu 2 N -3 1.64  0.37 m '2-coordinate N'
      4   Cu 2 N -3 1.76  0.37 m '3-coordinate N'
    loop_
    _valence_ref_id
    _valence_ref_reference
      a  'Brown & Altermatt (1985), Acta Cryst. B41, 244-247'
      j  'Liu & Thorp (1993), Inorg. Chem. 32, 4102-4205'
      m  'See, Krause & Strub (1998), Inorg. Chem. 37, 5369-5375'


Type: null

Category: category_overview








































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