data_global _chemical_name_mineral 'Wadsleyite' loop_ _publ_author_name 'Finger L W' 'Hazen R M' 'Zhang J' 'Ko J' 'Navrotsky A' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 19 _journal_year 1993 _journal_page_first 361 _journal_page_last 368 _publ_section_title ; The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe16 ; _database_code_amcsd 0007736 _chemical_formula_sum '(Mg1.68 Fe.32) Si O4' _cell_length_a 5.7119 _cell_length_b 11.4681 _cell_length_c 8.2799 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 542.372 _exptl_crystal_density_diffrn 3.693 _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 MgM1 0.00000 0.00000 0.00000 0.82900 0.00633 FeM1 0.00000 0.00000 0.00000 0.17100 0.00633 MgM2 0.00000 0.25000 0.97049 0.91500 0.00633 FeM2 0.00000 0.25000 0.97049 0.08500 0.00633 MgM3 0.25000 0.12603 0.25000 0.80800 0.00684 FeM3 0.25000 0.12603 0.25000 0.19200 0.00684 Si 0.00000 0.12042 0.61670 1.00000 0.00355 O1 0.00000 0.25000 0.21740 1.00000 0.00595 O2 0.00000 0.25000 0.71670 1.00000 0.00507 O3 0.00000 0.98890 0.25610 1.00000 0.00583 O4 0.26210 0.12293 0.99240 1.00000 0.00507