data_global _chemical_name_mineral 'Zircon' loop_ _publ_author_name 'Hazen R M' 'Finger L W' _journal_name_full 'American Mineralogist' _journal_volume 64 _journal_year 1979 _journal_page_first 196 _journal_page_last 201 _publ_section_title ; Crystal structure and compressibility of zircon at high pressure crystal No. 2, P = 37.1 kbar ; _database_code_amcsd 0000702 _chemical_formula_sum 'Zr Si O4' _cell_length_a 6.5650 _cell_length_b 6.5650 _cell_length_c 5.9583 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 256.798 _exptl_crystal_density_diffrn 4.741 _symmetry_space_group_name_H-M 'I 41/a m d' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/4-y,3/4-x,1/4+z' '3/4-y,1/4-x,3/4+z' '1/4+y,3/4+x,1/4-z' '3/4+y,1/4+x,3/4-z' '1/4+y,3/4-x,1/4-z' '3/4+y,1/4-x,3/4-z' '1/4-y,3/4+x,1/4+z' '3/4-y,1/4+x,3/4+z' '1/2+x,-y,1/2+z' '+x,1/2-y,+z' '1/2-x,y,1/2-z' '-x,1/2+y,-z' '1/2+x,y,1/2-z' '+x,1/2+y,-z' '1/2-x,-y,1/2+z' '-x,1/2-y,+z' '1/4+y,1/4+x,3/4+z' '3/4+y,3/4+x,1/4+z' '1/4-y,1/4-x,3/4-z' '3/4-y,3/4-x,1/4-z' '1/4-y,1/4+x,3/4-z' '3/4-y,3/4+x,1/4-z' '1/4+y,1/4-x,3/4+z' '3/4+y,3/4-x,1/4+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Zr 0.00000 0.75000 0.12500 Si 0.00000 0.25000 0.37500 O 0.00000 0.06560 0.19610 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 Zr 0.00415 0.00415 0.00360 0.00000 0.00000 0.00000 Si 0.00524 0.00524 0.00378 0.00000 0.00000 0.00000 O 0.00917 0.00873 0.00450 0.00000 0.00000 0.00238