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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000425.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_1000425
_chemical_name_systematic          'Caesium pentafluorodipalladate'
_chemical_formula_structural       'Cs (Pd2 F5)'
_chemical_formula_sum              'Cs F5 Pd2'
_publ_section_title                'Magnetic structure of Cs Pd2 F5'
loop_
_publ_author_name
  'Ruchaud, N'
  'Grannec, J'
  'Tressaud, A'
  'Ferey, G'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_coden_ASTM                ZAACAB
_journal_volume                    621
_journal_year                      1995
_journal_page_first                1958
_journal_page_last                 1962
_cell_length_a                     6.473(2)
_cell_length_b                     7.853(5)
_cell_length_c                     10.718(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       544.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I m m a'
_symmetry_Int_Tables_number        74
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  'x,1/2+y,-z'
  'x,1/2-y,z'
  '-x,-y,-z'
  '-x,y,z'
  '-x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2+x,-y,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cs1+   1.000
  Pd2+   2.000
  F1-   -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
  Cs1   Cs1+   4 e 0. 0.25 0.388(8) 1.  0 d
  Pd1   Pd2+   4 a 0. 0. 0. 1.  0 d
  Pd2   Pd2+   4 d 0.25 0.25 0.75 1.  0 d
  F1    F1-    4 e 0. 0.25 0.083(2) 1.  0 d
  F2    F1-   16 j 0.250(2) 0.927(6) 0.119(2) 1.  0 d
_refine_ls_R_factor_all            0.02