#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/21/1522145.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_1522145 loop_ _publ_author_name 'Weber, F.A.' 'Schleid, T.' _publ_section_title ; Ueber Oxidtelluride (M2 O2 Te) der leichten Lanthanide (M = La-Nd, Sm-Ho) im A-Typ mit anti-(Th Cr2 Si2)-Struktur ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1833 _journal_page_last 1838 _journal_volume 625 _journal_year 1999 _chemical_formula_sum 'La2 O2 Te' _chemical_name_systematic 'La2 O2 Te' _space_group_IT_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.1231 _cell_length_b 4.1231 _cell_length_c 13.096 _cell_volume 222.631 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Weber_ZAACAB_1999_828.cif _cod_data_source_block La2O2Te1 _cod_original_cell_volume 222.6314 _cod_original_formula_sum 'La2 O2 Te1' _cod_database_code 1522145 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 -y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 y+1/2,x+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 Te1 Te-2 0 0 0 1 0.0 O1 O-2 0.5 0 0.25 1 0.0 La1 La+3 0 0 0.34175 1 0.0