data_global _chemical_name_mineral 'Wadsleyite' loop_ _publ_author_name 'Hazen R M' 'Weinberger M B' 'Yang H' 'Prewitt C T' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 770 _journal_page_last 777 _publ_section_title ; Comparative high-pressure crystal chemistry of wadsleyite, beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25 Sample: P = .00 GPa, X = .25 ; _database_code_amcsd 0002445 _chemical_formula_sum '(Mg1.5 Fe.5) Si O4' _cell_length_a 5.7194 _cell_length_b 11.5114 _cell_length_c 8.3021 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 546.596 _exptl_crystal_density_diffrn 3.803 _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 Mg1 0.00000 0.00000 0.00000 0.71200 Fe1 0.00000 0.00000 0.00000 0.28800 Mg2 0.00000 0.25000 0.97060 0.86800 Fe2 0.00000 0.25000 0.97060 0.13200 Mg3 0.25000 0.12550 0.25000 0.71000 Fe3 0.25000 0.12550 0.25000 0.29000 Si 0.00000 0.12090 0.61660 1.00000 O1 0.00000 0.25000 0.21740 1.00000 O2 0.00000 0.25000 0.71630 1.00000 O3 0.00000 0.98750 0.25630 1.00000 O4 0.26260 0.12310 0.99240 1.00000