data_global _chemical_name_mineral 'Zircon' loop_ _publ_author_name 'Finch R J' 'Hanchar J M' 'Hoskin P W O' 'Burns P C' _journal_name_full 'American Mineralogist' _journal_volume 86 _journal_year 2001 _journal_page_first 681 _journal_page_last 689 _publ_section_title ; Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution Sample: Yb+P (40) ; _database_code_amcsd 0002650 _chemical_formula_sum 'Si Zr O4' _cell_length_a 6.6265 _cell_length_b 6.6265 _cell_length_c 5.979 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 262.541 _exptl_crystal_density_diffrn 4.638 _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 Si 0.00000 0.75000 0.62500 Zr 0.00000 0.75000 0.12500 O 0.00000 0.06640 0.19650 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 O 0.00900 0.00600 0.00600 0.00000 0.00000 0.00000