#------------------------------------------------------------------------------ #$Date: 2015-09-28 10:40:27 +0100 (Mon, 28 Sep 2015) $ #$Revision: 158460 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/25/1532531.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_1532531 loop_ _publ_author_name 'Kuz'micheva, G.M.' 'Andreenko, A.S.' 'Esaulova, Yu.V.' 'Khlybov, E.P.' 'Kostyleva, I.E.' _publ_section_title ; Synthesis, crystal structure and properties of superconducting and non-superconducting Ru Sr2 (Nd, Ce)2 Cu2 O10 phases ; _journal_name_full 'Physica C (Amsterdam)' _journal_page_first 315 _journal_page_last 322 _journal_volume 383 _journal_year 2003 _chemical_formula_sum 'Ce0.8 Cu2.33 Nd1.54 O9.74 Ru0.67 Sr1.66' _chemical_name_systematic ; (Ru0.67 Cu0.33) (Sr1.66 Nd0.34) (Nd1.2 Ce0.8) Cu2 O9.74 ; _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 3.849 _cell_length_b 3.849 _cell_length_c 28.575 _cell_volume 423.333 _citation_journal_id_ASTM PHYCE6 _cod_data_source_file Kuzmicheva_PHYCE6_2003_587.cif _cod_data_source_block Ce0.8Cu2.33Nd1.54O9.74Ru0.67Sr1.66 _cod_original_cell_volume 423.3329 _cod_database_code 1532531 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 O2 O-2 0 0 0.0677 1 0.0 O3 O-2 0 0.5 0.1478 1 0.0 Cu1 Cu+2 0.038 0 0 0.082 0.0 O4 O-2 0 0.5 0.25 1 0.0 Nd1 Nd+3 0 0 0.4224 0.17 0.0 Nd2 Nd+3 0 0 0.2945 0.6 0.0 Ru1 Ru+5 0.038 0 0 0.167 0.0 Ce1 Ce+4 0 0 0.2945 0.4 0.0 Sr1 Sr+2 0 0 0.4224 0.83 0.0 O1 O-2 0.112 0.5 0 0.435 0.0 Cu2 Cu+2 0 0 0.1403 1 0.0