data_global
_amcsd_formula_title 'Ba Ce0.9 Cu0.9 Fe1.1 Nd O7'
loop_
_publ_author_name
'Michel C'
'Hervieu M'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 92 
_journal_year 1991
_journal_page_first 339
_journal_page_last 351
_publ_section_title
;
 BaNdCe0.9Fe1+xCu1-xO7-d: an intergrowth of the BaYFeCuO5 type
 and CeO2 fluorite type structures
 _cod_database_code 1001482
;
_database_code_amcsd 0013716
_chemical_formula_sum 'Ba Nd Ce.9 (Fe1.1 Cu.9) O7'
_cell_length_a 3.9025
_cell_length_b 3.9025
_cell_length_c 20.8955
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 318.228
_exptl_crystal_density_diffrn      6.661
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba1   0.00000   0.00000   0.50000   1.00000
Nd1   0.00000   0.00000   0.31240   0.50000
Ce1   0.00000   0.00000   0.31240   0.45000
Fe1   0.00000   0.00000   0.09760   0.55000
Cu1   0.00000   0.00000   0.09760   0.45000
O1   0.00000   0.00000   0.00000   1.00000
O2   0.00000   0.50000   0.11240   1.00000
O3   0.00000   0.50000   0.25000   1.00000