data_global _amcsd_formula_title 'F6 Fe2 Li' loop_ _publ_author_name 'Fourquet J' 'LeSamedi E' 'Calage Y' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 77 _journal_year 1988 _journal_page_first 84 _journal_page_last 89 _publ_section_title ; Le trirutile ordonne Li Fe2 F6: Croissance cristalline et etude structurale _cod_database_code 1000239 ; _database_code_amcsd 0013624 _chemical_formula_sum 'Li Fe2 F6' _cell_length_a 4.679 _cell_length_b 4.679 _cell_length_c 9.324 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 204.131 _exptl_crystal_density_diffrn 3.785 _symmetry_space_group_name_H-M 'P 42 n m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' '1/2-y,1/2+x,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,-y,z' 'y,x,z' '1/2+y,1/2-x,1/2+z' '1/2-x,1/2+y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Li1 0.00000 0.00000 0.66640 Fe1 0.00000 0.00000 0.33390 Fe2 0.00000 0.00000 0.00000 F1 0.69380 0.69380 0.65680 F2 0.29140 0.29140 0.00260 F3 0.30530 0.30530 0.34400 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 Li1 0.01650 0.01650 0.01070 0.01530 0.00000 0.00000 Fe1 0.00790 0.00790 0.00770 -0.00220 0.00000 0.00000 Fe2 0.00770 0.00770 0.00700 -0.00020 0.00000 0.00000 F1 0.01220 0.01220 0.00810 -0.00450 0.00020 0.00020 F2 0.01280 0.01280 0.01210 -0.00550 -0.00170 -0.00170 F3 0.01480 0.01480 0.01240 -0.00520 -0.00180 -0.00180