#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/11/1541137.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_1541137 loop_ _publ_author_name 'Potel, M.' 'Brochu, R.' 'Padiou, J.' _publ_section_title ; Structure de Pb U2 Se5 ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 205 _journal_page_last 208 _journal_volume 10 _journal_year 1975 _chemical_formula_sum 'Pb Se5 U2' _chemical_name_systematic 'Pb U2 Se5' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.605 _cell_length_b 7.788 _cell_length_c 12.27 _cell_volume 822.283 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Potel_MRBUAC_1975_1769.cif _cod_data_source_block Pb1Se5U2 _cod_original_cell_volume 822.2831 _cod_original_formula_sum 'Pb1 Se5 U2' _cod_database_code 1541137 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-y-1/2,z-1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Se2 Se-2 0.0407 0.3349 0.0879 1 0.0 U2 U+4 0.2523 0.9197 0.4914 1 0.0 Se1 Se-2 0.4522 0.1631 0.5989 1 0.0 Se4 Se-2 0.2805 0.5411 0.498 1 0.0 Pb1 Pb+2 -0.0115 0.4865 0.3203 1 0.0 Se3 Se-2 0.2762 0.1683 0.316 1 0.0 U1 U+4 0.5027 0.0215 0.8193 1 0.0 Se5 Se-2 0.2668 0.8043 0.7189 1 0.0