data_2002190
_chemical_name_systematic          'Diindium dicopper oxide'
_chemical_formula_structural       'In2 Cu2 O5'
_chemical_formula_sum              'Cu2 In2 O5'
_publ_section_title                'Zur Kenntnis von In2 Cu2 O5'
loop_
_publ_author_name
  'Freund, H R'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    441
_journal_year                      1978
_journal_page_first                103
_journal_page_last                 106
_cell_length_a                     12.32
_cell_length_b                     10.557
_cell_length_c                     3.281
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       426.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 21 n b'
_symmetry_Int_Tables_number        33
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  'x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  In3+   3.000
  Cu2+   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
  In1   In3+   4 a 0. 0.2087 0.235 1.  0 d
  In2   In3+   4 a 0.3313 0.0333 0.2292 1.  0 d
  Cu1   Cu2+   4 a 0.1143 0.9953 0.6874 1.  0 d
  Cu2   Cu2+   4 a 0.2199 0.2606 0.6529 1.  0 d
  O1    O2-    4 a 0.356 0.169 0.742 1.  0 d
  O2    O2-    4 a 0.067 0.327 0.724 1.  0 d
  O3    O2-    4 a 0.161 0.123 0.293 1.  0 d
  O4    O2-    4 a 0.261 0.432 0.782 1.  0 d
  O5    O2-    4 a 0.47 0.423 0.208 1.  0 d
_refine_ls_R_factor_all            0.1