data_global
_amcsd_formula_title 'Ba Cu Nd2 O5'
loop_
_publ_author_name
'Michel C'
'Er-Rakho L'
'Raveau B'
_journal_name_full 'Revue de Chimie Minerale'
_journal_volume 21 
_journal_year 1984
_journal_page_first 85
_journal_page_last 91
_publ_section_title
;
 Les oxides Nd2-x Ba1+x Cu1-x/2 O5-x
 _cod_database_code 1001327
;
_database_code_amcsd 0015396
_chemical_formula_sum 'Nd2 Ba Cu O5'
_cell_length_a 6.695
_cell_length_b 6.695
_cell_length_c 5.819
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 260.825
_exptl_crystal_density_diffrn      7.250
_symmetry_space_group_name_H-M 'P 4/m b m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  '1/2+y,1/2+x,-z'
  'y,-x,-z'
  '-y,x,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  'x,y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,-z'
  '-y,x,-z'
  'y,-x,z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Nd1   0.17330   0.67330   0.00000
Ba1   0.50000   0.50000   0.50000
Cu1   0.50000   0.00000   0.50000
O1   0.00000   0.00000   0.00000
O2   0.36900   0.86900   0.25300