data_2002534
_chemical_name_systematic          'Dibarium zinc oxide'
_chemical_formula_structural       'Ba2 Zn O3'
_chemical_formula_sum              'Ba2 O3 Zn'
_publ_section_title                'Zur Kristallstruktur von Ba2 Zn O3'
loop_
_publ_author_name
  'Scheikowski, M'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    612
_journal_year                      1992
_journal_page_first                17
_journal_page_last                 20
_cell_length_a                     5.833(5)
_cell_length_b                     11.376(6)
_cell_length_c                     12.585(5)
_cell_angle_alpha                  90
_cell_angle_beta                   93.63(9)
_cell_angle_gamma                  90
_cell_volume                       833.4
_cell_formula_units_Z              8
_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
  Ba2+   2.000
  Zn2+   2.000
  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+   8 f 0.2423(3) 0.1045(2) 0.4253(1) 1.  0 d
  Ba2   Ba2+   8 f 0.2320(3) 0.7946(2) 0.3475(1) 1.  0 d
  Zn1   Zn2+   8 f 0.2709(7) 0.0014(3) 0.6646(3) 1.  0 d
  O1    O2-    8 f 0.178(3) 0.325(2) 0.365(2) 1.  0 d
  O2    O2-    4 e 0. 0.591(3) 0.25 1.  0 d
  O3    O2-    4 e 0. 0.996(3) 0.25 1.  0 d
  O4    O2-    8 f 0.274(3) 0.603(2) 0.466(2) 1.  0 d
_refine_ls_R_factor_all            0.039