data_global _chemical_name_mineral 'Wadsleyite' loop_ _publ_author_name 'Horiuchi H' 'Sawamoto H' _journal_name_full 'American Mineralogist' _journal_volume 66 _journal_year 1981 _journal_page_first 568 _journal_page_last 575 _publ_section_title ; Beta-Mg2SiO4: Single-crystal X-ray diffraction study case 2 ; _database_code_amcsd 0000835 _chemical_formula_sum 'Si Mg2 O4' _cell_length_a 5.6983 _cell_length_b 11.4380 _cell_length_c 8.2566 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 538.142 _exptl_crystal_density_diffrn 3.473 _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 Si 0.00000 0.11980 0.61680 Mg1 0.00000 0.00000 0.00000 Mg2 0.00000 0.25000 0.97010 Mg3 0.25000 0.12760 0.25000 O1 0.00000 0.25000 0.21660 O2 0.00000 0.25000 0.71640 O3 0.00000 0.99000 0.25590 O4 0.26160 0.12250 0.99250 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 Si 0.00280 0.00298 0.00311 0.00000 0.00000 0.00000 Mg1 0.00197 0.00464 0.00380 0.00000 0.00000 0.00000 Mg2 0.00559 0.00530 0.00414 0.00000 0.00000 0.00000 Mg3 0.00461 0.00530 0.00553 0.00000 -0.00072 0.00000 O1 0.00477 0.00464 0.00484 0.00000 0.00000 0.00000 O2 0.00559 0.00133 0.00484 0.00000 0.00000 0.00000 O3 0.00559 0.00331 0.00380 0.00000 0.00000 -0.00048 O4 0.00461 0.00398 0.00449 -0.00033 0.00048 0.00000