#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002130.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_2002130
_chemical_name_systematic          'Barium dichromo(II)octachromate(III)'
_chemical_formula_structural       'Ba (Cr10 O15)'
_chemical_formula_sum              'Ba Cr10 O15'
_publ_section_title
;
Zur Kenntnis neuer Oxochromate: Sr Cr10 O15 und Ba Cr10 O15 mit
zweiwertigem Chrom : M Cr(2+)2 Cr(3+)8 O15
;
loop_
_publ_author_name
  'Cuno, E'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    572
_journal_year                      1989
_journal_page_first                89
_journal_page_last                 94
_cell_length_a                     10.126(2)
_cell_length_b                     11.491(2)
_cell_length_c                     9.392(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1092.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C c m b'
_symmetry_Int_Tables_number        64
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '1/2-x,y,1/2+z'
  '1/2+x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,z'
  '1/2+x,-y,1/2-z'
  '1/2-x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,-z'
  '-x,1/2+y,1/2+z'
  'x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,z'
  'x,1/2-y,1/2-z'
  '-x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Cr3+   2.800
  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
  Ba1   Ba2+   4 a 0. 0. 0. 1.  0 d
  Cr1   Cr3+  16 g 0.1644(1) 0.2460(1) 0.1179(1) 1.  0 d
  Cr2   Cr3+  16 g 0.4154(1) 0.6272(1) 0.3580(1) 1.  0 d
  Cr3   Cr3+   8 f 0.1826(2) 0. 0.3639(2) 1.  0 d
  O1    O2-   16 g 0.2370(5) 0.1298(4) 0.5043(7) 1.  0 d
  O2    O2-   16 g 0.5889(5) 0.1314(5) 0.2434(6) 1.  0 d
  O3    O2-    8 e 0.3180(8) 0.25 0.25 1.  0 d
  O4    O2-    8 f 0.3534(8) 0. 0.2579(9) 1.  0 d
  O5    O2-    8 d 0. 0.2576(7) 0. 1.  0 d
  O6    O2-    4 b 0. 0.5 0. 1.  0 d
_refine_ls_R_factor_all            0.044