data_global
_amcsd_formula_title 'Cu6.8 Fe1.2 La5.2 O20 Sr2.8'
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 1001702
;
_database_code_amcsd 0012208
_chemical_formula_sum '(La2.6 Sr1.4) Cu3.4 Fe.6 O10'
_cell_length_a 10.7870
_cell_length_b 10.7870
_cell_length_c 3.8915
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 452.812
_exptl_crystal_density_diffrn      6.552
_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   0.25850   0.47100   0.50000   0.65000
Sr1   0.25850   0.47100   0.50000   0.35000
Cu1   0.00000   0.00000   0.00000   0.40000
Fe1   0.00000   0.00000   0.00000   0.60000
Cu2   0.50000   0.00000   0.00000   1.00000
Cu3   0.22250   0.72250   0.00000   1.00000
O1   0.00000   0.00000   0.50000   1.00000
O2   0.50000   0.00000   0.50000   1.00000
O3   0.21950   0.71950   0.50000   1.00000
O4   0.37680   0.87680   0.00000   1.00000
O5   0.15780   0.09580   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 0.02970 0.02970 0.00430 0.01230 0.00000 0.00000
O3 0.01820 0.01820 0.00410 0.00920 0.00000 0.00000