#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/07/1010798.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010798
_chemical_name_systematic          'Barium tetracyanopalladate(II) tetrahydrate'
_chemical_formula_structural       'Ba Pd (C N)4 (H2 O)4'
_chemical_formula_sum            'Ba H8 N4 O4 Pd'
_[local]_cod_chemical_formula_sum_orig 'H8 Ba N4 O4 Pd'
_publ_section_title
;
Etude cristallographique du palladocyanure de baryum. Ba Pd (C N)~4~
(H~2~ O)~4~.
;
loop_
_publ_author_name
  'de Rassenfosse, A'
  'Pierard, J'
_journal_name_full
;
Bulletin de la Societe Royal des Sciences de Liege
;
_journal_coden_ASTM                BSRSA6
_journal_volume                    4
_journal_year                      1935
_journal_page_first                74
_journal_page_last                 79
_cell_length_a                     11.95
_cell_length_b                     13.82
_cell_length_c                     6.71
_cell_angle_alpha                  90
_cell_angle_beta                   103.63
_cell_angle_gamma                  90
_cell_volume                       1076.9
_cell_formula_units_Z              4
_exptl_crystal_density_meas        2.57
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Pd2+   2.000
  C2+    2.000
  N3-   -3.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Ba1   Ba2+   4 e 0. 0.375 0.25 1.  0 d
  Pd1   Pd2+   4 e 0. 0. 0. 1.  0 d
  C1    C2+    4 e -1. -1. -1. 4.  0 dum
  N1    N3-    4 e -1. -1. -1. 4.  0 dum
  O1    O2-    4 e -1. -1. -1. 4.  0 dum
  H1    H1+    4 e -1. -1. -1. 8.  0 dum
_cod_database_code 1010798