data_global _chemical_name_mineral 'Quartz' loop_ _publ_author_name 'Antao S M' 'Hassan I' 'Wang J' 'Lee P L' 'Toby B H' _journal_name_full 'The Canadian Mineralogist' _journal_volume 46 _journal_year 2008 _journal_page_first 1501 _journal_page_last 1509 _publ_section_title ; State-of-the-art high-resolution powder x-ray diffraction (HRPXRD) illustrated with Rietveld structure refinement of quartz, sodalite, tremolite, and meionite ; _database_code_amcsd 0006212 _chemical_compound_source 'not specified' _chemical_formula_sum 'Si O2' _cell_length_a 4.913437 _cell_length_b 4.913437 _cell_length_c 5.405118 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 113.007 _exptl_crystal_density_diffrn 2.649 _symmetry_space_group_name_H-M 'P 32 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,-z' '-y,x-y,2/3+z' '-x,-x+y,2/3-z' '-x+y,-x,1/3+z' 'x-y,-y,1/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Si 0.47000 0.00000 0.66667 0.00620 O 0.41460 0.26780 0.78543 0.01090 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 0.00733 0.00590 0.00535 0.00294 0.00027 0.00055 O 0.01200 0.01050 0.01180 0.00650 -0.00290 -0.00400