data_global
_amcsd_formula_title 'Ba2 Cu2 La2 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 1006074
;
_database_code_amcsd 0012202
_chemical_formula_sum 'La Ba Cu Ti O5.5'
_cell_length_a 3.9367
_cell_length_b 3.9367
_cell_length_c 15.805
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 244.940
_exptl_crystal_density_diffrn      6.449
_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   0.50000   0.50000   0.00000   0.64000
Ba1   0.50000   0.50000   0.50000   0.36000
Ba2   0.50000   0.50000   0.23290   0.64000
La2   0.50000   0.50000   0.73290   0.36000
La3   0.50000   0.50000   0.50000   0.64000
Ba3   0.50000   0.50000   0.00000   0.36000
Cu1   0.00000   0.00000   0.11300   0.64000
Cu2   0.00000   0.00000   0.61300   0.36000
Ti1   0.00000   0.00000   0.38700   0.64000
Ti2   0.00000   0.00000   0.88700   0.36000
O1   0.00000   0.00000   0.50000   0.64000
O2   0.00000   0.00000   0.00000   0.36000
O3   0.50000   0.00000   0.37160   0.63750
O4   0.50000   0.00000   0.87160   0.36250
O5   0.00000   0.00000   0.26880   0.64000
O6   0.00000   0.00000   0.76880   0.36000
O7   0.50000   0.00000   0.10390   0.63750
O8   0.50000   0.00000   0.60390   0.36250