data_global _amcsd_formula_title 'FeTaO4' loop_ _publ_author_name 'Astrov D N' 'Kryukova N A' 'Zorin R B' 'Makarov V A' 'Ozerov R P' 'Rozhdestvenskii F A' 'Smirnov V P' 'Turchaninov A M' 'Fadeeva N V' _journal_name_full 'Soviet Physics Crystallography' _journal_volume 17 _journal_year 1972 _journal_page_first 1017 _journal_page_last 1023 _publ_section_title ; Atomic and molecular ordering in MeTaO4 (Me=Ti,V,Cr,Fe) with a rutile structure ; _database_code_amcsd 0015559 _chemical_formula_sum '(Fe.5 Ta.5) O2' _cell_length_a 4.679 _cell_length_b 4.679 _cell_length_c 3.047 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 66.708 _exptl_crystal_density_diffrn 7.488 _symmetry_space_group_name_H-M 'P 42/m n m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,x,-z' '1/2+y,1/2-x,1/2-z' '1/2-y,1/2+x,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' '-x,-y,z' 'y,x,z' '-y,-x,-z' '1/2-y,1/2+x,1/2-z' '1/2+y,1/2-x,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe 0.00000 0.00000 0.00000 0.50000 Ta 0.00000 0.00000 0.00000 0.50000 O 0.29500 0.29500 0.00000 1.00000