#------------------------------------------------------------------------------ #$Date: 2015-09-28 10:48:07 +0100 (Mon, 28 Sep 2015) $ #$Revision: 158479 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/25/1532549.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_1532549 loop_ _publ_author_name 'Kuz'micheva, G.M.' 'Afanas'eva, I.N.' 'Esaulova, Yu.V.' 'Khlybov, E.P.' 'Andreenko, A.S.' 'Kostyleva, I.E.' _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 'Cu2.45 Gd1.74 Mo0.55 O8 Sr1.26' _chemical_name_systematic '(Mo0.55 Cu0.45) (Sr1.26 Gd0.74) Gd Cu2 O8' _space_group_IT_number 123 _symmetry_space_group_name_Hall '-P 4 2' _symmetry_space_group_name_H-M 'P 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 3.8385 _cell_length_b 3.8385 _cell_length_c 11.516 _cell_volume 169.678 _citation_journal_id_ASTM ZSTKAI _cod_data_source_file Kuzmicheva_ZSTKAI_2002_1178.cif _cod_data_source_block Cu2.45Gd1.74Mo0.55O8Sr1.26 _cod_original_cell_volume 169.6777 _cod_database_code 1532549 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 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 O3 O-2 0.5 0 0.3779 1 0.0 Gd1 Gd+3 0.5 0.5 0.1976 0.37 0.0 Gd2 Gd+3 0.5 0.5 0.5 1 0.0 Cu2 Cu+2 0 0 0.3544 1 0.0 Cu1 Cu+2 0.038 0 0 0.115 0.0 Sr1 Sr+2 0.5 0.5 0.1976 0.63 0.0 Mo1 Mo+6 0.038 0 0 0.137 0.0 O2 O-2 0 0 0.1691 1 0.0 O1 O-2 0.154 0.5 0 0.5 0.0