data_1001222
_chemical_name_systematic          'DIGADOLINIUM BARIUM COPPER OXIDE'
_chemical_formula_structural       'GD2 BA CU O5'
_chemical_formula_sum              'Ba Cu Gd2 O5'
_publ_section_title
;
Les oxydes A~2~ Ba Cu O~5~ (A = Y,Sm,Eu,Gd,Dy,Ho,Er,Yb)
;
loop_
_publ_author_name
  'Mechel, C'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    43
_journal_year                      1982
_journal_page_first                73
_journal_page_last                 80
_cell_length_a                     7.226(2)
_cell_length_b                     12.321(2)
_cell_length_c                     5.724(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       509.6
_cell_formula_units_Z              4
_exptl_crystal_density_meas        7.75
_symmetry_space_group_name_H-M     'P b n m'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  'x,y,1/2-z'
  '1/2-x,1/2+y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Gd3+   3.000
  Ba2+   2.000
  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
  Gd1   Gd3+   4 c 0.118(1) 0.2917(5) 0.25 1.  0 d
  Gd2   Gd3+   4 c 0.3959(9) 0.0726(6) 0.25 1.  0 d
  Ba1   Ba2+   4 c 0.9284(7) 0.9069(5) 0.25 1.  0 d
  Cu1   Cu2+   4 c 0.731(1) 0.660(1) 0.25 1.  0 d
  O1    O2-    8 d 0.173(5) 0.447(3) -0.023(3) 1.  0 d
  O2    O2-    8 d 0.399(6) 0.229(2) 0.462(3) 1.  0 d
  O3    O2-    4 c 0.088(5) 0.083(5) 0.25 1.  0 d
_refine_ls_R_factor_all            0.072