#------------------------------------------------------------------------------ #$Date: 2016-01-01 14:51:05 +0200 (Fri, 01 Jan 2016) $ #$Revision: 172447 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/11/1541184.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_1541184 loop_ _publ_author_name 'Rossi, G.' 'Abbattista, F.' 'Vallino, M.' 'Mazza, D.' _publ_section_title ; New tetragonal phase in the system La-Ce-Li-O ; _journal_name_full 'Materials Chemistry and Physics' _journal_page_first 163 _journal_page_last 169 _journal_volume 20 _journal_year 1988 _chemical_formula_sum 'Ce12 La24 Li26 O73.35' _chemical_name_systematic 'La24 Ce12 Li26 O73.35' _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 1 _cell_length_a 12.054 _cell_length_b 12.054 _cell_length_c 11.89 _cell_volume 1727.604 _citation_journal_id_ASTM MCHPDR _cod_data_source_file Rossi_MCHPDR_1988_535.cif _cod_data_source_block Ce12La24Li26O73.35 _cod_database_code 1541184 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 O4 O-2 0.7681 0.5 0 1 0.0 O5 O-2 0.159 0 0 0.4463 0.0 O1 O-2 0.8039 0.3696 0.6302 1 0.0 La1 La+3 0 0.30471 0.30222 1 0.0 Ce1 Ce+4 0.35088 0 0 1 0.0 O3 O-2 0 0.5 0.8732 1 0.0 Li3 Li+1 0 0 0 1 0.0 O6 O-2 0 0 0.5 1 0.0 Li1 Li+1 0.134 0.134 0.863 1 0.0 Ce2 Ce+4 0 0 0.3214 1 0.0 Li2 Li+1 0.25 0.25 0.25 1 0.0 La2 La+3 0.30429 0.30429 0 1 0.0 O7 O-2 0 0 0.141 0.945 0.0 O2 O-2 0.3671 0.3671 0.8116 1 0.0