data_global
_amcsd_formula_title 'Cu6 Fe2 La4.4 O20 Sr3.6'
loop_
_publ_author_name
'Genouel R'
'Michel C'
'Raveau B'
_journal_name_full 'Chemistry of Materials'
_journal_volume 7 
_journal_year 1995
_journal_page_first 2181
_journal_page_last 2184
_publ_section_title
;
 Powder neutron diffraction study of the ordered oxygen-deficient
 perovskites (La, Sr)8 Cu8-x Fex O20
 _cod_database_code 1001701
;
_database_code_amcsd 0012207
_chemical_formula_sum '(La2.2 Sr1.8) Cu3 Fe O10'
_cell_length_a 10.7480
_cell_length_b 10.7480
_cell_length_c 3.8976
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 450.249
_exptl_crystal_density_diffrn      6.416
_symmetry_space_group_name_H-M 'P 4/m b m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  '1/2+y,1/2+x,-z'
  'y,-x,-z'
  '-y,x,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  'x,y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,-z'
  '-y,x,-z'
  'y,-x,z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-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   0.25710   0.47260   0.50000   0.55000
Sr1   0.25710   0.47260   0.50000   0.45000
Cu1   0.00000   0.00000   0.00000   0.14000
Fe1   0.00000   0.00000   0.00000   0.86000
Cu2   0.50000   0.00000   0.00000   1.00000
Cu3   0.22510   0.72510   0.00000   0.93000
Fe2   0.22510   0.72510   0.00000   0.07000
O1   0.00000   0.00000   0.50000   1.00000
O2   0.50000   0.00000   0.50000   1.00000
O3   0.22020   0.72020   0.50000   1.00000
O4   0.37680   0.87680   0.00000   1.00000
O5   0.15690   0.09620   0.00000   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
O2 0.01500 0.01500 0.01170 0.00610 0.00000 0.00000
O3 0.00840 0.00840 0.00110 0.00600 0.00000 0.00000