data_global _chemical_name_mineral 'Wadsleyite' loop_ _publ_author_name 'Trots D M' 'Kurnosov A' 'Ballaran T F' 'Frost D J' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 1582 _journal_page_last 1590 _publ_section_title ; High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 297 K ; _database_code_amcsd 0019743 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mg2 Si O4' _cell_length_a 5.7016 _cell_length_b 11.4427 _cell_length_c 8.2491 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 538.185 _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 Mg1 0.00000 0.00000 0.00000 Mg2 0.00000 0.25000 0.97260 Mg3 0.25000 0.12860 0.25000 Si1 0.00000 0.11870 0.61750 O1 0.00000 0.25000 0.21770 O2 0.00000 0.25000 0.71790 O3 0.00000 0.99290 0.25480 O4 0.26240 0.12270 0.99450