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