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: 15 ; _database_code_amcsd 0007880 _chemical_formula_sum 'Si O2' _cell_length_a 5.0980 _cell_length_b 5.2954 _cell_length_c 6.9599 _cell_angle_alpha 110.9196 _cell_angle_beta 107.5582 _cell_angle_gamma 83.9309 _cell_volume 167.327 _exptl_crystal_density_diffrn 2.385 _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 0.13461 0.29869 0.23439 Si2 0.61791 0.28429 0.59542 Si3 0.55239 0.36908 0.04434 Si4 0.82673 0.72167 0.45675 O1 0.10729 0.61244 0.38526 O2 0.84186 0.04196 0.59954 O3 0.26716 0.26269 0.04211 O4 0.59523 0.66732 0.22804 O5 0.81718 0.18433 0.12257 O6 0.34158 0.15975 0.39651 O7 0.75255 0.53776 0.57710 O8 0.53106 0.39156 0.81529