#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/89/1538925.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_1538925 loop_ _publ_author_name 'Palenzona, A.' 'Franceschi, E.' _publ_section_title ; Sur la structure cristalline des composes TR2 Tl ; _journal_name_full ; Colloques Internationaux du Centre National de la Recherche Scientifique ; _journal_page_first 135 _journal_page_last 141 _journal_volume 1 _journal_year 1970 _chemical_formula_sum 'Nd2 Tl' _chemical_name_systematic 'Nd2 Tl' _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 5.498 _cell_length_b 5.498 _cell_length_c 6.839 _cell_volume 179.033 _citation_journal_id_ASTM COINAV _cod_data_source_file Palenzona_COINAV_1970_943.cif _cod_data_source_block Nd2Tl1 _cod_original_cell_volume 179.0329 _cod_original_formula_sum 'Nd2 Tl1' _cod_database_code 1538925 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -y,-x,-z+1/2 x-y,-y,-z x,x-y,-z+1/2 y,x,-z -x+y,y,-z+1/2 -x,-x+y,-z -x,-y,-z -x+y,-x,-z-1/2 y,-x+y,-z x,y,-z-1/2 x-y,x,-z -y,x-y,-z-1/2 y,x,z-1/2 -x+y,y,z -x,-x+y,z-1/2 -y,-x,z x-y,-y,z-1/2 x,x-y,z 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 Nd2 Nd 0.3333 0.6667 0.75 1 0.0 Tl1 Tl 0.3333 0.6667 0.25 1 0.0 Nd1 Nd 0 0 0 1 0.0