#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9000852.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_9000852 _space_group_IT_number 141 _symmetry_space_group_name_Hall '-I 4bd 2' _symmetry_space_group_name_H-M 'I 41/a m d :2' _[local]_cod_cif_authors_sg_H-M 'I 41/a m d' loop_ _publ_author_name 'Speer J A' 'Cooper B J' _publ_section_title ; Crystal structure of synthetic hafnon, HfSiO4, comparison with zircon and the actinide orthosilicates ; _journal_name_full 'American Mineralogist' _journal_page_first 804 _journal_page_last 808 _journal_volume 67 _journal_year 1982 _chemical_formula_sum 'Hf O4 Si' _[local]_cod_chemical_formula_sum_orig 'Hf Si O4' _chemical_name_mineral Hafnon _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 6.5725 _cell_length_b 6.5725 _cell_length_c 5.9632 _cell_volume 257.597 loop_ _symmetry_equiv_pos_as_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 Hf 0.00000 0.75000 0.12500 ? Si 0.00000 0.75000 0.62500 0.00063 O 0.00000 0.06550 0.19480 0.00925 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 Hf 0.00766 0.00766 0.00613 0.00000 0.00000 0.00000 _cod_database_code 9000852