data_global _chemical_name_mineral 'Stishovite' loop_ _publ_author_name 'Ross N L' 'Shu J F' 'Hazen R M' 'Gasparik T' _journal_name_full 'American Mineralogist' _journal_volume 75 _journal_year 1990 _journal_page_first 739 _journal_page_last 747 _publ_section_title ; High-pressure crystal chemistry of stishovite P = 11.0 Gpa ; _database_code_amcsd 0001312 _chemical_formula_sum 'Si O2' _cell_length_a 4.1246 _cell_length_b 4.1246 _cell_length_c 2.6474 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 45.038 _exptl_crystal_density_diffrn 4.431 _symmetry_space_group_name_H-M 'P 42/m n m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,x,-z' '1/2+y,1/2-x,1/2-z' '1/2-y,1/2+x,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' '-x,-y,z' 'y,x,z' '-y,-x,-z' '1/2-y,1/2+x,1/2-z' '1/2+y,1/2-x,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Si 0.00000 0.00000 0.00000 0.00215 O 0.30570 0.30570 0.00000 0.00583