data_global _chemical_name_mineral 'Quartz' loop_ _publ_author_name 'Levien L' 'Prewitt C T' 'Weidner D J' _journal_name_full 'American Mineralogist' _journal_volume 65 _journal_year 1980 _journal_page_first 920 _journal_page_last 930 _publ_section_title ; Structure and elastic properties of quartz at pressure P = 1 atm ; _database_code_amcsd 0000789 _chemical_formula_sum 'Si O2' _cell_length_a 4.916 _cell_length_b 4.916 _cell_length_c 5.4054 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 113.131 _exptl_crystal_density_diffrn 2.646 _symmetry_space_group_name_H-M 'P 32 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,2/3-z' '-y,x-y,2/3+z' '-x,-x+y,1/3-z' '-x+y,-x,1/3+z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Si 0.46970 0.00000 0.00000 O 0.41350 0.26690 0.11910 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Si 0.00854 0.00716 0.00725 0.00358 -0.00001 -0.00002 O 0.01745 0.01322 0.01229 0.00973 -0.00291 -0.00408