data_global
_amcsd_formula_title 'Ba2 Cu2 Nd2 O11 Ti2'
loop_
_publ_author_name
'Gomez-Romero P'
'Palacin M'
'Rodriguez-Carvajal J'
_journal_name_full 'Chemistry of Materials'
_journal_volume 6 
_journal_year 1994
_journal_page_first 2118
_journal_page_last 2122
_publ_section_title
;
 Crystal structure refinement of the layered copper-titanium perovskites
 Ln2 Ba2 Cu2 Ti2 O11 (Ln=La, Nd) from neutron powder diffraction data
 _cod_database_code 1006075
;
_database_code_amcsd 0012203
_chemical_formula_sum 'Nd2 Ba2 Cu2 Ti2 O11'
_cell_length_a 3.91275
_cell_length_b 3.91275
_cell_length_c 15.7614
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 241.301
_exptl_crystal_density_diffrn      6.620
_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
Nd1   0.50000   0.50000   0.00000
Ba1   0.50000   0.50000   0.23570
Nd2   0.50000   0.50000   0.50000
Cu1   0.00000   0.00000   0.10840
Ti1   0.00000   0.00000   0.37010
O1   0.00000   0.00000   0.50000
O2   0.50000   0.00000   0.38410
O3   0.00000   0.00000   0.25540
O4   0.50000   0.00000   0.09740