data_global _amcsd_formula_title 'SiO2' loop_ _publ_author_name 'Kuwayama Y' 'Hirose K' 'Sata N' 'Ohishi Y' _journal_name_full 'Science' _journal_volume 309 _journal_year 2005 _journal_page_first 923 _journal_page_last 925 _publ_section_title ; The pyrite-type high-pressure form of silica Sample: P = 271 GPa, T = 300 K ; _database_code_amcsd 0015438 _chemical_formula_sum 'Si O2' _cell_length_a 3.9299 _cell_length_b 3.9299 _cell_length_c 3.9299 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 60.694 _exptl_crystal_density_diffrn 6.575 _symmetry_space_group_name_H-M 'P a 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+z,x,1/2-y' 'z,1/2-x,1/2+y' '1/2-z,1/2+x,y' '-z,-x,-y' '1/2+y,1/2-z,-x' '1/2-y,-z,1/2+x' '-y,1/2+z,1/2-x' 'y,z,x' 'x,1/2-y,1/2+z' '1/2-x,1/2+y,z' '1/2+x,y,1/2-z' '-x,-y,-z' '1/2-z,-x,1/2+y' '-z,1/2+x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2-y,1/2+z,x' '1/2+y,z,1/2-x' 'y,1/2-z,1/2+x' '-y,-z,-x' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+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 0.00469 O 0.34840 0.34840 0.34840 0.01874