#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007054.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_1007054 loop_ _publ_author_name 'Durif, A' _publ_section_title 'Structure de Ge U O~4~' _journal_coden_ASTM ACCRA9 _journal_name_full 'Acta Crystallographica (1,1948-23,1967)' _journal_page_first 533 _journal_page_last 533 _journal_paper_doi 10.1107/S0365110X56001418 _journal_volume 9 _journal_year 1956 _chemical_formula_structural 'Ge U O4' _chemical_formula_sum 'Ge O4 U' _chemical_name_systematic 'Germanium uranium(IV) oxide' _space_group_IT_number 88 _symmetry_cell_setting tetragonal _symmetry_space_group_name_Hall 'I 4bw -1bw' _symmetry_space_group_name_H-M 'I 41/a :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.084 _cell_length_b 5.084 _cell_length_c 11.226 _cell_volume 290.2 _cod_original_sg_symbol_H-M 'I 41/a S' _cod_database_code 1007054 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z x,1/2+y,1/4-z -x,1/2-y,1/4-z -y,x,-z y,-x,-z -y,1/2+x,1/4+z y,1/2-x,1/4+z 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+x,y,3/4-z 1/2-x,-y,3/4-z 1/2-y,1/2+x,1/2-z 1/2+y,1/2-x,1/2-z 1/2-y,x,3/4+z 1/2+y,-x,3/4+z loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Ge1 Ge4+ 4 a 0. 0. 0. 1. 0 d U1 U4+ 4 b 0. 0. 0.5 1. 0 d O1 O2- 16 f 0.27 0.11 0.08 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Ge4+ 4.000 U4+ 4.000 O2- -2.000