data_global _amcsd_formula_title 'LiMnFeF6' loop_ _publ_author_name 'Courbion G' 'Jacoboni C' 'de Pape R' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 45 _journal_year 1982 _journal_page_first 127 _journal_page_last 134 _publ_section_title ; The Dimorphism of LiMnFeF6: A New Kind of Cationic Order in the Structural Type Na2SiF6 _cod_database_code 1000186 ; _database_code_amcsd 0013497 _chemical_formula_sum 'Fe Mn Li F6' _cell_length_a 8.723 _cell_length_b 8.723 _cell_length_c 4.745 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 312.679 _exptl_crystal_density_diffrn 3.692 _symmetry_space_group_name_H-M 'P 3 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,-z' '-y,x-y,z' '-x,-x+y,-z' '-x+y,-x,z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe1 0.00000 0.00000 0.00000 Fe2 0.33333 0.66667 0.50600 Mn1 0.35200 0.00000 0.00000 Li1 0.71400 0.00000 0.50000 F1 0.54100 0.42000 0.26800 F2 0.22600 0.46200 0.27000 F3 0.22100 0.09800 0.22600