data_global
_amcsd_formula_title 'Ba Cu5 La4 O13.16'
loop_
_publ_author_name
'Michel C'
'Er Rakho L'
'Hervieu M'
'Pannetier J'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 68 
_journal_year 1987
_journal_page_first 143
_journal_page_last 152
_publ_section_title
;
 Ba La4 Cu5 O13+d, an oxygen-deficient perovskite built pu from corner-
 sharing Cu O6 octahedra and Cu O5 pyramids
 _cod_database_code 1001688
;
_database_code_amcsd 0013600
_chemical_formula_sum 'Ba La4 Cu5 O13.12'
_cell_length_a 8.6475
_cell_length_b 8.6475
_cell_length_c 3.8594
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 288.603
_exptl_crystal_density_diffrn      7.023
_symmetry_space_group_name_H-M 'P 4/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,-x,-z'
  '-y,x,z'
  'x,y,-z'
  '-x,-y,z'
  '-y,x,-z'
  'y,-x,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba1   0.50000   0.50000   0.50000   1.00000
La1   0.12620   0.27890   0.50000   1.00000
Cu1   0.00000   0.00000   0.00000   1.00000
Cu2   0.41540   0.17180   0.00000   1.00000
O1   0.00000   0.00000   0.50000   1.00000
O2   0.00000   0.50000   0.00000   0.06000
O3   0.26970   0.39050   0.00000   1.00000
O4   0.22670   0.06500   0.00000   1.00000
O5   0.41570   0.15590   0.50000   1.00000
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
Ba1 0.00880 0.00880 0.00700 0.00000 0.00000 0.00000
O1 0.02600 0.02600 0.00070 0.00000 0.00000 0.00000