#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:04:56 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/23/2002367.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_2002367
_chemical_name_systematic
;
Barium iron platinum chlorine oxide (10/8/2/2/25)
;
_chemical_formula_structural       'Ba10 Fe8 Pt2 Cl2 O25'
_chemical_formula_sum              'Ba10 Cl2 Fe8 O25 Pt2'
_publ_section_title                'Zur Kenntnis von Ba10 Fe8 Pt2 Cl2 O25'
loop_
_publ_author_name
  'Leib, W'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    551
_journal_year                      1987
_journal_page_first                7
_journal_page_last                 12
_cell_length_a                     5.8034(4)
_cell_length_b                     5.8034(4)
_cell_length_c                     24.99699(500)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       729.1
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Fe3+   3.000
  Pt4+   4.000
  O2-   -2.000
  Cl1-  -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+   2 b 0. 0. 0.25 1.  0 d
  Ba2   Ba2+   4 f 0.3333 0.6667 0.3723(1) 1.  0 d
  Ba3   Ba2+   4 f 0.3333 0.6667 0.9600(1) 1.  0 d
  Fe1   Fe3+   4 e 0. 0. 0.6090(2) 1.  0 d
  Fe2   Fe3+   4 f 0.3333 0.6667 0.8215(2) 1.  0 d
  Pt1   Pt4+   2 a 0. 0. 0. 1.  0 d
  O1    O2-   12 k 0.330(6) 0.165(3) 0.351(1) 1.  0 d
  O2    O2-   12 k 0.694(4) 0.847(2) 0.451(1) 1.  0 d
  O3    O2-    2 d 0.3333 0.6667 0.75 0.5  0 d
  Cl1   Cl1-   2 c 0.3333 0.6667 0.25 1.  0 d
_refine_ls_R_factor_all            0.071
_cod_database_code 2002367
_journal_paper_doi 10.1002/zaac.19875510802