data_global _amcsd_formula_title 'SiO2' loop_ _publ_author_name 'Boisen M B' 'Gibbs G V' 'Bukowinski M S T' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 21 _journal_year 1994 _journal_page_first 269 _journal_page_last 284 _publ_section_title ; Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 21 ; _database_code_amcsd 0007886 _chemical_formula_sum 'Si O2' _cell_length_a 4.7209 _cell_length_b 4.5622 _cell_length_c 6.0394 _cell_angle_alpha 90.9053 _cell_angle_beta 93.3589 _cell_angle_gamma 105.9589 _cell_volume 124.778 _exptl_crystal_density_diffrn 3.198 _symmetry_space_group_name_H-M 'P 1' loop_ _space_group_symop_operation_xyz 'x,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Si1 0.92440 0.88732 0.09823 Si2 0.04628 0.67669 0.54485 Si3 0.28983 0.49012 0.16406 Si4 0.56482 0.15851 0.81421 O1 0.83179 0.74573 0.33781 O2 0.29799 0.54261 0.43287 O3 0.24088 0.00747 0.67014 O4 0.99265 0.23923 0.13734 O5 0.69292 0.86751 0.88460 O6 0.51991 0.33202 0.04662 O7 0.21255 0.77809 0.04640 O8 0.82618 0.40998 0.68894