data_global _chemical_name_mineral 'Zircon' loop_ _publ_author_name 'Kolesov B A' 'Geiger C A' 'Armbruster T' _journal_name_full 'European Journal of Mineralogy' _journal_volume 13 _journal_year 2001 _journal_page_first 939 _journal_page_last 948 _publ_section_title ; The dynamic properties of zircon studied by single-crystal X-ray diffraction and Raman spectroscopy ; _database_code_amcsd 0006906 _chemical_formula_sum 'Zr Si O4' _cell_length_a 6.6039 _cell_length_b 6.6039 _cell_length_c 5.9783 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 260.723 _exptl_crystal_density_diffrn 4.670 _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 _atom_site_U_iso_or_equiv Zr 0.00000 0.75000 0.12500 0.00384 Si 0.00000 0.75000 0.62500 0.00404 O 0.00000 0.06586 0.19533 0.00656 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 0.00364 0.00364 0.00427 0.00000 0.00000 0.00000 Si 0.00402 0.00402 0.00410 0.00000 0.00000 0.00000 O 0.00930 0.00450 0.00580 0.00000 0.00000 -0.00080