data_global _amcsd_formula_title 'CaFe5O7' loop_ _publ_author_name 'Evrard O' 'Malaman B' 'Jeannot F' 'Courtois A' 'Alebouyeh H' 'Gerardin R' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 35 _journal_year 1980 _journal_page_first 112 _journal_page_last 119 _publ_section_title ; Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance ; _database_code_amcsd 0013404 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca Fe5 O7' _cell_length_a 3.052 _cell_length_b 10.041 _cell_length_c 17.966 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 550.570 _exptl_crystal_density_diffrn 5.203 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca 0.00000 0.78760 0.25000 0.01241 Fe2+1 0.00000 0.27350 0.07490 0.00507 Fe2+2 0.00000 0.00000 0.00000 0.00443 Fe3+ 0.00000 0.46360 0.84620 0.00456 O1 0.00000 0.45900 0.25000 0.01381 O2 0.00000 0.91100 0.39400 0.01558 O3 0.00000 0.17200 0.33200 0.01102 O4 0.00000 0.64300 0.46800 0.00545