data_global
_amcsd_formula_title 'Ba3 Cu6 La3 O14'
loop_
_publ_author_name
'Er-Rakho L'
'Michel C'
'Provost J'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 37 
_journal_year 1981
_journal_page_first 151
_journal_page_last 156
_publ_section_title
;
 A Series of Oxygen-Defect Perovskites Containing Cu(II) and Cu(III):
 The Oxides La3-x Lnx Ba3 (Cu(II)5-2y Cu(III)1+2y) O14+y
 _cod_database_code 1001172
;
_database_code_amcsd 0013414
_chemical_formula_sum '(La1.5 Ba1.5) Cu3 O7'
_cell_length_a 5.5253
_cell_length_b 5.5253
_cell_length_c 11.721
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 357.830
_exptl_crystal_density_diffrn      6.654
_symmetry_space_group_name_H-M 'P 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x,-z'
  '-y,x,z'
  'x,-y,z'
  '-x,y,-z'
  'x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,x,-z'
  'y,-x,z'
  '-x,y,z'
  'x,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1   0.00000   0.50000   0.17980   0.50000
Ba1   0.00000   0.50000   0.17980   0.50000
La2   0.00000   0.50000   0.50000   0.50000
Ba2   0.00000   0.50000   0.50000   0.50000
Cu1   0.00000   0.00000   0.00000   1.00000
Cu2   0.50000   0.50000   0.00000   1.00000
Cu3   0.00000   0.00000   0.34800   1.00000
Cu4   0.50000   0.50000   0.34600   1.00000
O1   0.25000   0.25000   0.00000   1.00000
O2   0.25000   0.25000   0.35800   1.00000
O3   0.50000   0.50000   0.14700   1.00000