data_2002233
_chemical_name_systematic          'Copper tetraoxodibismuthate(III)'
_chemical_formula_structural       'Cu Bi2 O4'
_chemical_formula_sum              'Bi2 Cu O4'
_publ_section_title
;
Isolierte quadratisch planare (Cu O4)6- -Polyeder in Cu Bi2 O4, ein
neuer Bautyp zur Formel (Me3+)2 M2+ O4
;
loop_
_publ_author_name
  'Arpe, R'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    426
_journal_year                      1976
_journal_page_first                1
_journal_page_last                 6
_cell_length_a                     8.484
_cell_length_b                     8.484
_cell_length_c                     5.813
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       418.4
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I 4'
_symmetry_Int_Tables_number        79
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-y,x,z'
  'y,-x,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cu2+   2.000
  Bi3+   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
  Cu1   Cu2+   2 a 0. 0. 0.1763 1.  0 d
  Cu2   Cu2+   2 a 0.5 0.5 0.171 1.  0 d
  Bi1   Bi3+   8 c 0.1683 0.3316(1) 0. 1.  0 d
  O1    O2-    8 c 0.098(6) 0.203 0.654(5) 1.  0 d
  O2    O2-    8 c 0.202(1) 0.101(8) 0.161(6) 1.  0 d
_refine_ls_R_factor_all            0.094