data_global
_amcsd_formula_title 'Cu Nd2 O3.5'
loop_
_publ_author_name
'Choisnet J'
'Mouron M'
'Crespin M'
'van Aken P'
'Mueller W'
_journal_name_full 'Journal of Materials Chemistry'
_journal_volume 4 
_journal_year 1994
_journal_page_first 895
_journal_page_last 898
_publ_section_title
;
 Perovskite-like intergrowth structure of the reduced cuprate Nd2CuO3.5:
 a combination of defect and excess oxygen non-stoichiometry phenomena
 _cod_database_code 1001671
;
_database_code_amcsd 0013071
_chemical_formula_sum 'Nd2 Cu O3.5'
_cell_length_a 4.237
_cell_length_b 3.7675
_cell_length_c 11.917
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 190.230
_exptl_crystal_density_diffrn      7.123
_symmetry_space_group_name_H-M 'I m m m'
loop_
_space_group_symop_operation_xyz
  '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'
  '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'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1   0.00000   0.00000   0.34810   1.00000
Cu1   0.00000   0.00000   0.00000   1.00000
O1   0.50000   0.00000   0.00000   0.90000
O2   0.00000   0.50000   0.00000   0.13000
O3   0.08900   0.05700   0.15100   0.23000
O4   0.50000   0.00000   0.26100   0.31500