data_global _chemical_name_mineral 'Wadsleyite' loop_ _publ_author_name 'Hazen R M' 'Yang H' 'Prewitt C T' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 778 _journal_page_last 783 _publ_section_title ; High-pressure crystal chemistry of Fe3+-wadsleyite, beta-Fe2.33Si0.67O4 Pressure = 5.45 GPa ; _database_code_amcsd 0002454 _chemical_formula_sum 'Fe2.33 Si.67 O4' _cell_length_a 5.7889 _cell_length_b 11.7496 _cell_length_c 8.2898 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 563.849 _exptl_crystal_density_diffrn 5.017 _symmetry_space_group_name_H-M 'I m m a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,1/2-y,z' '1/2+x,-y,1/2+z' '-x,1/2+y,-z' '1/2-x,+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' 'x,1/2+y,-z' '1/2+x,+y,1/2-z' '-x,1/2-y,z' '1/2-x,-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-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 Fe1 0.00000 0.00000 0.00000 1.00000 0.00849 Fe2 0.00000 0.25000 0.97060 1.00000 0.00709 Fe3 0.25000 0.12450 0.25000 1.00000 0.00912 SiT 0.00000 0.12040 0.61870 0.67000 0.00595 FeT 0.00000 0.12040 0.61870 0.33000 0.00595 O1 0.00000 0.25000 0.22810 1.00000 0.00887 O2 0.00000 0.25000 0.72350 1.00000 0.01520 O3 0.00000 0.99330 0.25400 1.00000 0.01520 O4 0.25710 0.12310 0.99960 1.00000 0.01140