data_global _amcsd_formula_title 'LuFe2O4' loop_ _publ_author_name 'Isobe M' 'Kimizuka N' 'Iida J' 'Takekawa S' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 1917 _journal_page_last 1918 _publ_section_title ; Structures of LuFeCoO4 and LuFe2O4 ; _database_code_amcsd 0010186 _chemical_formula_sum 'Lu Fe2 O4' _cell_length_a 3.4406 _cell_length_b 3.4406 _cell_length_c 25.28 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 259.165 _exptl_crystal_density_diffrn 6.740 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Lu 0.00000 0.00000 0.00000 0.01710 Fe 0.00000 0.00000 0.21518 0.00963 O1 0.00000 0.00000 0.12810 0.02913 O2 0.00000 0.00000 0.29260 0.01140 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 Lu 0.00410 0.00410 0.04320 0.00205 0.00000 0.00000 Fe 0.01000 0.01000 0.00900 0.00500 0.00000 0.00000 O1 0.01900 0.01900 0.04700 0.00950 0.00000 0.00000 O2 0.01300 0.01300 0.00900 0.00650 0.00000 0.00000