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: 10 ; _database_code_amcsd 0007875 _chemical_formula_sum 'Si O2' _cell_length_a 4.8452 _cell_length_b 6.9852 _cell_length_c 7.0237 _cell_angle_alpha 113.811 _cell_angle_beta 77.951 _cell_angle_gamma 76.701 _cell_volume 199.134 _exptl_crystal_density_diffrn 2.004 _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 0.56694 0.53023 0.14443 Si2 0.18157 0.63553 0.56963 Si3 0.17781 0.28153 0.16121 Si4 0.55261 0.77228 0.87133 O1 0.68108 0.64967 0.00381 O2 0.17776 0.38859 0.41568 O3 0.38732 0.37207 0.02957 O4 0.30189 0.01295 0.04855 O5 0.39291 0.62250 0.71914 O6 0.83357 0.79966 0.72185 O7 0.33606 0.71179 0.39507 O8 0.84169 0.36805 0.16267