data_global _chemical_name_mineral 'Ericssonite' loop_ _publ_author_name 'Matsubara S' _journal_name_full 'Mineralogical Journal' _journal_volume 10 _journal_year 1980 _journal_page_first 107 _journal_page_last 121 _publ_section_title ; The crystal structure of orthoericssonite Note: this is the orthorhombic polytype ; _database_code_amcsd 0014422 _chemical_compound_source 'Hijikuzu mine, Iwate Prefecture, Japan' _chemical_formula_sum '(Ba.7 Sr.3) Mn1.4 Fe1.5 Ti.1 Si2 O9' _cell_length_a 20.230 _cell_length_b 6.979 _cell_length_c 5.392 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 761.270 _exptl_crystal_density_diffrn 4.258 _symmetry_space_group_name_H-M 'P n m n' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,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' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ba 0.22483 0.00000 0.16440 0.70000 0.00963 Sr 0.22483 0.00000 0.16440 0.30000 0.00963 Mn1 0.00000 0.25960 0.00000 0.70000 0.00925 Fe12+ 0.00000 0.25960 0.00000 0.30000 0.01077 Mn2 0.00000 0.00000 0.50000 0.70000 0.00925 Fe22+ 0.00000 0.00000 0.50000 0.30000 0.00671 Mn3 0.00000 0.50000 0.50000 0.70000 0.01077 Fe32+ 0.00000 0.50000 0.50000 0.30000 0.00671 Fe3+ 0.14291 0.50000 0.16630 0.90000 0.00519 Ti 0.14291 0.50000 0.16630 0.10000 0.00519 Si 0.13640 0.22620 0.66440 1.00000 0.00532 O1 0.05070 0.00000 0.16570 1.00000 0.01545 O2 0.15820 0.00000 0.66240 1.00000 0.01722 O3 0.05670 0.24650 0.66170 1.00000 0.01026 O4 0.17080 0.30870 0.91370 1.00000 0.01317 O5 0.17220 0.30860 0.41800 1.00000 0.01241 O6 0.05230 0.50000 0.17300 1.00000 0.00747 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 Ba 0.01099 0.00881 0.00910 0.00000 0.00000 0.00000 Sr 0.01099 0.00881 0.00910 0.00000 0.00000 0.00000 Mn1 0.01327 0.00817 0.00635 0.00000 0.00249 0.00000 Fe12+ 0.01327 0.00817 0.00635 0.00000 0.00249 0.00000 Mn2 0.01161 0.01063 0.00993 0.00000 0.00061 0.00000 Fe22+ 0.01161 0.01063 0.00993 0.00000 0.00061 0.00000 Mn3 0.00767 0.00834 0.00401 0.00000 0.00177 0.00000 Fe32+ 0.00767 0.00834 0.00401 0.00000 0.00177 0.00000 Fe3+ 0.00498 0.00733 0.00343 0.00000 0.00044 0.00000 Ti 0.00498 0.00733 0.00343 0.00000 0.00044 0.00000 Si 0.00581 0.00479 0.00546 0.00050 0.00044 -0.00046 O1 0.01472 0.01752 0.01402 0.00000 -0.00011 0.00000 O2 0.01348 0.00392 0.03417 0.00000 0.00028 0.00000 O3 0.00705 0.01300 0.01069 0.00200 0.00188 0.00095 O4 0.01016 0.02107 0.00823 0.00136 -0.00077 -0.00318 O5 0.01057 0.01767 0.00896 0.00007 0.00188 0.00400 O6 0.00560 0.00901 0.00772 0.00000 0.00061 0.00000