data_2002409
_chemical_name_systematic          'Barium dichromate(III)'
_chemical_formula_structural       'Ba (Cr2 O4)'
_chemical_formula_sum              'Ba Cr2 O4'
_publ_section_title                'Zur Kenntnis von Ba Cr2 O4'
loop_
_publ_author_name
  'Cuno, E'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    564
_journal_year                      1988
_journal_page_first                26
_journal_page_last                 30
_cell_length_a                     12.286
_cell_length_b                     5.921
_cell_length_c                     5.146
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       374.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P m m n S'
_symmetry_Int_Tables_number        59
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
  '-x,y,z'
  'x,-y,z'
  '1/2+x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Cr3+   3.000
  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
  Ba1   Ba2+   2 b 0. 0.5 0.1348(5) 1.  0 d
  Ba2   Ba2+   2 a 0.5 0.5 0.4432(5) 1.  0 d
  Cr1   Cr3+   4 f 0.2552(4) 0. 0.4988(8) 1.  0 d
  Cr2   Cr3+   4 c 0.25 0.25 0. 1.  0 d
  O1    O2-    4 f 0.336(2) 0. 0.166(4) 1.  0 d
  O2    O2-    4 f 0.168(2) 0. 0.830(4) 1.  0 d
  O3    O2-    8 g 0.163(1) 0.251(3) 0.336(3) 1.  0 d
_refine_ls_R_factor_all            0.066