data_global
_amcsd_formula_title 'Ba1.5 Cu3 La1.5 O7.02'
loop_
_publ_author_name
'Domenges B'
'Hervieu M'
'Michel C'
'Maignan A'
'Raveau B'
_journal_name_full 'Physica Status Solidi'
_journal_volume A107 
_journal_year 1988
_journal_page_first 73
_journal_page_last 84
_publ_section_title
;
 La3 Ba3 Cu6 O14+x: A Single Phase Or A Mixture?
 _cod_database_code 1001376
;
_database_code_amcsd 0015112
_chemical_formula_sum 'La1.5 Ba1.5 Cu3 O7.02'
_cell_length_a 3.9098
_cell_length_b 3.9098
_cell_length_c 11.7058
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 178.941
_exptl_crystal_density_diffrn      6.656
_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   0.50000   1.00000
La2   0.50000   0.50000   0.18160   0.25000
Ba1   0.50000   0.50000   0.18160   0.75000
Cu1   0.00000   0.00000   0.00000   1.00000
Cu2   0.00000   0.00000   0.34520   1.00000
O1   0.00000   0.00000   0.15770   0.94000
O2   0.00000   0.50000   0.36380   1.00000
O3   0.00000   0.50000   0.00000   0.57000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
La1 0.11616 0.11616 7.70540 0.00000 0.00000 0.00000
La2 0.58856 0.58856 16.38266 0.00000 0.00000 0.00000
Ba1 0.58856 0.58856 16.38266 0.00000 0.00000 0.00000
Cu1 2.20711 2.20711 1.80487 0.00000 0.00000 0.00000
Cu2 0.29428 0.29428 1.94371 0.00000 0.00000 0.00000
O1 2.67177 2.67177 0.00000 0.00000 0.00000 0.00000
O2 0.49563 0.50338 8.74667 0.00000 0.00000 0.00000
O3 8.95235 2.87312 9.02435 0.00000 0.00000 0.00000