data_global _amcsd_formula_title 'F3 Fe' loop_ _publ_author_name 'Leblanc M' 'Pannetier J' 'Ferey G' 'de Pape R' _journal_name_full 'Revue de Chimie Minerale' _journal_volume 22 _journal_year 1985 _journal_page_first 107 _journal_page_last 114 _publ_section_title ; Single crystal refinement of the structure of rhombohedral Fe F3 _cod_database_code 1000476 ; _database_code_amcsd 0015398 _chemical_formula_sum 'Fe F3' _cell_length_a 5.362 _cell_length_b 5.362 _cell_length_c 5.362 _cell_angle_alpha 57.94 _cell_angle_beta 57.94 _cell_angle_gamma 57.94 _cell_volume 103.857 _exptl_crystal_density_diffrn 3.608 _symmetry_space_group_name_H-M 'R -3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,1/2-z,1/2-y' '-z,-x,-y' '1/2+y,1/2+x,1/2+z' 'y,z,x' '1/2-z,1/2-y,1/2-x' '-x,-y,-z' '1/2+x,1/2+z,1/2+y' 'z,x,y' '1/2-y,1/2-x,1/2-z' '-y,-z,-x' '1/2+z,1/2+y,1/2+x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe1 0.00000 0.00000 0.00000 F1 -0.16070 0.66070 0.25000 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 Fe1 0.00560 0.00560 0.00560 -0.00200 -0.00200 -0.00200 F1 0.01120 0.01120 0.01120 -0.00790 -0.00290 -0.00290