#------------------------------------------------------------------------------ #$Date: 2015-09-28 11:00:29 +0100 (Mon, 28 Sep 2015) $ #$Revision: 158500 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/25/1532568.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_1532568 loop_ _publ_author_name 'Achary, S.N.' 'Patwe, S.J.' 'Tyagi, A.K.' _publ_section_title ; Powder XRD study of Ba4 Eu3 F17 ; _journal_name_full 'Powder Diffraction' _journal_page_first 225 _journal_page_last 229 _journal_volume 17 _journal_year 2002 _chemical_formula_sum 'Ba4 Eu3 F17' _chemical_name_systematic 'Ba4 (Eu3 F17)' _space_group_IT_number 148 _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 6 _cell_length_a 11.1787 _cell_length_b 11.1787 _cell_length_c 20.5789 _cell_volume 2227.078 _citation_journal_id_ASTM PODIE2 _cod_data_source_file Achary_PODIE2_2002_7.cif _cod_data_source_block Ba4Eu3F17 _cod_database_code 1532568 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z -x,-y,-z y,-x+y,-z x-y,x,-z x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 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 F2 F-1 0.433 0.289 0.122 1 0.0 Ba2 Ba+2 0.2279 0.0336 0.0845 1 0.0 F5 F-1 0.245 0.375 0.167 1 0.0 F6 F-1 0 0 0.14 1 0.0 F4 F-1 0.205 0.504 0.043 1 0.0 Eu1 Eu+3 0.086 0.6129 0.0825 1 0.0 F8 F-1 0.954 0.921 0.496 0.167 0.0 F1 F-1 0.034 0.775 0.038 1 0.0 F3 F-1 0.471 0.087 0.037 1 0.0 Ba1 Ba+2 0 0 0.2648 1 0.0 F7 F-1 0 0 0 1 0.0