#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/22/7222200.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_7222200 loop_ _publ_author_name 'Maignan, A.' 'Pelloquin, D.' 'Hervieu, M.' 'Martin, C.' 'Raveau, B.' _publ_section_title ; A new form of oxygen deficient 1201-cobaltite (Tl0.4 Sr0.5 Co0.1) Sr2 Co O5-d: structure, transport and magnetic properties ; _journal_name_full 'Journal of Materials Chemistry' _journal_page_first 1009 _journal_page_last 1016 _journal_volume 12 _journal_year 2002 _chemical_formula_sum 'Co O4.8 Sr2.53 Tl0.47' _chemical_name_systematic 'Tl0.47 Sr2.53 Co O4.8' _space_group_IT_number 35 _symmetry_space_group_name_Hall 'C 2 -2' _symmetry_space_group_name_H-M 'C m m 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.4812 _cell_length_b 18.1849 _cell_length_c 3.741 _cell_volume 508.944 _citation_journal_id_ASTM JMACEP _cod_data_source_file Maignan_JMACEP_2002_703.cif _cod_data_source_block Co1O4.8Sr2.53Tl0.47 _cod_original_cell_volume 508.9439 _cod_original_formula_sum 'Co1 O4.8 Sr2.53 Tl0.47' _cod_database_code 7222200 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z -x,y,z x,-y,z x+1/2,y+1/2,z -x+1/2,-y+1/2,z -x+1/2,y+1/2,z x+1/2,-y+1/2,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 Co1 Co+3 0.25 0 0.5 1 0.0 Sr3 Sr+2 0.5 0.1079 0 1 0.0 O4 O-2 0.5 0 0.5 1 0.0 O5 O-2 0 0 0.5 0.6 0.0 O1 O-2 0 0.25 0 1 0.0 O2 O-2 0.25 0.1242 0.5 1 0.0 Sr2 Sr+2 0 0.1028 0 1 0.0 Sr1 Sr+2 0.25 0.25 0.5 0.5275 0.0 Tl1 Tl+3 0.218 0.25 0.5 0.2363 0.0 O3 O-2 0.25 0 0 1 0.0