data_global _chemical_name_mineral 'Columbite-(Fe)' loop_ _publ_author_name 'Bordet P' 'McHale A' 'Santoro A' 'Roth R' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 64 _journal_year 1986 _journal_page_first 30 _journal_page_last 46 _publ_section_title ; Powder neutron diffraction study of ZrTiO4, Zr5Ti7O24 and FeNb2O6 _cod_database_code 1008356 ; _database_code_amcsd 0016267 _chemical_formula_sum 'Fe Nb2 O6' _cell_length_a 14.2661 _cell_length_b 5.7334 _cell_length_c 5.0495 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 413.015 _exptl_crystal_density_diffrn 5.430 _symmetry_space_group_name_H-M 'P b c n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-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 Fe 0.00000 0.33110 0.25000 Nb 0.33890 0.31910 0.25060 O1 0.09630 0.10410 0.07270 O2 0.41890 0.11630 0.09900 O3 0.75600 0.12360 0.07930