data_global _chemical_name_mineral 'Cristobalite' loop_ _publ_author_name 'Le Bail A' _journal_name_full 'Journal of Non-Crystalline Solids' _journal_volume 183 _journal_year 1995 _journal_page_first 39 _journal_page_last 42 _publ_section_title ; Modelling the silica glass structure by the Rietveld method Note: model for amorphous silica based on cristobalite-type topology ; _database_code_amcsd 0020708 _chemical_formula_sum 'Si O2' _cell_length_a 7.22 _cell_length_b 7.09 _cell_length_c 7.30 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 373.686 _exptl_crystal_density_diffrn 2.136 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-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 Si1 0.27700 0.27500 0.28200 Si2 0.00900 0.02200 0.01600 O1 0.12500 0.14900 0.15200 O2 0.63500 0.65700 0.06100 O3 0.06500 0.64600 0.65400 O4 0.67000 0.06000 0.62100