data_1008152
_chemical_name_systematic          'Cobalt(III) copper(I) oxide'
_chemical_formula_structural       'Co Cu O2'
_chemical_formula_sum              'Co Cu O2'
_publ_section_title                'Le systeme Co-Cu-O.'
loop_
_publ_author_name
  'Bertaut, F'
  'Delorme, C'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_coden_ASTM                COREAF
_journal_volume                    238
_journal_year                      1954
_journal_page_first                1829
_journal_page_last                 1830
_cell_length_a                     5.95
_cell_length_b                     5.95
_cell_length_c                     5.95
_cell_angle_alpha                  27.7
_cell_angle_beta                   27.7
_cell_angle_gamma                  27.7
_cell_volume                       40.2
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'R -3 m R'
_symmetry_Int_Tables_number        166
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,x,z'
  'y,z,x'
  'x,z,y'
  'z,x,y'
  'z,y,x'
  '-x,-y,-z'
  '-y,-x,-z'
  '-y,-z,-x'
  '-x,-z,-y'
  '-z,-x,-y'
  '-z,-y,-x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cu1+   1.000
  Co3+   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   Cu1+   1 a 0. 0. 0. 1.  0 d
  Co1   Co3+   1 b 0.5 0.5 0.5 1.  0 d
  O1    O2-    2 c 0.111 0.111 0.111 1.  0 d