#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000337.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_1000337
_chemical_name_systematic          'Disodium palladium diphosphate'
_chemical_formula_structural       'Na2 Pd (P2 O7)'
_chemical_formula_sum              'Na2 O7 P2 Pd'
_publ_section_title
;
Structure determination of Na~2~PdP~2~O~7~ from X-ray powder diffraction
;
loop_
_publ_author_name                  'Laligant, Y'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    29
_journal_year                      1992
_journal_page_first                83
_journal_page_last                 94
_cell_length_a                     14.693(3)
_cell_length_b                     5.8551(4)
_cell_length_c                     7.922(2)
_cell_angle_alpha                  90
_cell_angle_beta                   114.11(2)
_cell_angle_gamma                  90
_cell_volume                       622.1
_cell_formula_units_Z              4
_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
  Pd2+   2.000
  P5+    5.000
  Na1+   1.000
  O2-   -2.000
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
  Pd1   Pd2+   4 a 0. 0. 0. 1.  0 d
  P1    P5+    8 f 0.1058(2) 0.3456(5) 0.8418(5) 1.  0 d
  Na1   Na1+   8 f 0.2265(3) 0.8651(7) 0.8012(6) 1.  0 d
  O1    O2-    8 f 0.8124(4) 0.5168(13) 0.6029(8) 1.  0 d
  O2    O2-    4 e 0. 0.4801(19) 0.75 1.  0 d
  O3    O2-    8 f 0.8877(5) 0.1800(12) 0.8067(10) 1.  0 d
  O4    O2-    8 f 0.6066(5) 0.2821(14) 0.5177(9) 1.  0 d
_refine_ls_R_factor_all            0.02
_cod_database_code 1000337