#------------------------------------------------------------------------------ #$Date: 2015-09-28 14:05:21 +0100 (Mon, 28 Sep 2015) $ #$Revision: 158618 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/26/1532663.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_1532663 loop_ _publ_author_name 'Kuz'micheva, G.M.' 'Afanas'eva, I.N.' 'Esaulova, Yu.V.' 'Andreenko, A.S.' 'Kostyleva, I.E.' 'Khlybov, E.P.' _publ_section_title ; Dependence of the structure and properties of (M, Cu) Sr2 (Ln, Ca) Cu2 O8-d (1212) and (M, Cu) Sr2 (Ln, Ce(4+))2 Cu2 O10-d (1222) phases on the cation M ; _journal_name_full 'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)' _journal_page_first 871 _journal_page_last 890 _journal_volume 43 _journal_year 2002 _chemical_formula_sum 'Ce0.6 Cu2.3 Gd1.94 Mo0.7 O10 Sr1.46' _chemical_name_systematic ; (Mo0.7 Cu0.3) (Sr1.46 Gd0.54) (Gd1.4 Ce0.6) Cu2 O10 ; _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 3.8277 _cell_length_b 3.8277 _cell_length_c 28.229 _cell_volume 413.591 _citation_journal_id_ASTM ZSTKAI _cod_data_source_file Kuzmicheva_ZSTKAI_2002_1187.cif _cod_data_source_block Ce0.6Cu2.3Gd1.94Mo0.7O10Sr1.46 _cod_original_cell_volume 413.5912 _cod_database_code 1532663 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 Gd1 Gd+3 0 0 0.4187 0.27 0.0 O3 O-2 0 0.5 0.3539 1 0.0 O4 O-2 0 0.5 0.25 1 0.0 Sr1 Sr+2 0 0 0.4187 0.73 0.0 O2 O-2 0 0 0.0627 1 0.0 Cu1 Cu+2 0.073 0 0 0.075 0.0 Cu2 Cu+2 0 0 0.1435 1 0.0 O1 O-2 0.169 0.5 0 0.5 0.0 Gd2 Gd+3 0 0 0.294 0.7 0.0 Mo1 Mo+6 0.073 0 0 0.175 0.0 Ce1 Ce+4 0 0 0.294 0.3 0.0