data_global _chemical_name_mineral 'Tapiolite-(Fe)' loop_ _publ_author_name 'Zema M' 'Tarantino S C' 'Giorgiani A' _journal_name_full 'Mineralogical Magazine' _journal_volume 70 _journal_year 2006 _journal_page_first 319 _journal_page_last 328 _publ_section_title ; Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q3, treated at 750 C for 180 min ; _database_code_amcsd 0018706 _chemical_compound_source 'Kimito, Finland' _chemical_formula_sum 'Fe Ta1.87 Nb.13 O6' _cell_length_a 4.7504 _cell_length_b 4.7504 _cell_length_c 9.2549 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 208.849 _exptl_crystal_density_diffrn 7.987 _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(A) 0.00000 0.00000 0.00000 0.55200 Ta(A) 0.00000 0.00000 0.00000 0.44800 Fe(B) 0.00000 0.00000 0.33237 0.22400 Ta(B) 0.00000 0.00000 0.33237 0.71100 Nb(B) 0.00000 0.00000 0.33237 0.06500 O1 0.30420 0.30420 0.00000 1.00000 O2 0.29890 0.29890 0.32810 1.00000