#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/64/1526461.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_1526461 loop_ _publ_author_name 'Sato, E.' 'Ishii, O.' 'Akao, T.' 'Ohsuna, T.' 'Hiraga, K.' 'Kambe, S.' _publ_section_title ; Synthesis of (M0.33 Cu0.67) Sr2 Y Cu2 Oy: a novel layered cuprate with a block layer of (As0.33 Cu0.67) O0.88 ; _journal_name_full 'Physica C (Amsterdam)' _journal_page_first 33 _journal_page_last 42 _journal_volume 336 _journal_year 2000 _chemical_formula_sum 'As0.33 Cu2.67 O6.88 Sr2 Y' _chemical_name_systematic '(As0.33 Cu0.67) Sr2 Y Cu2 O6.88' _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 3.829 _cell_length_b 3.829 _cell_length_c 11.47 _cell_volume 168.164 _citation_journal_id_ASTM PHYCE6 _cod_data_source_file Sato_PHYCE6_2000_428.cif _cod_data_source_block As0.33Cu2.67O6.88Sr2Y1 _cod_original_cell_volume 168.1644 _cod_original_formula_sum 'As0.33 Cu2.67 O6.88 Sr2 Y1' _cod_database_code 1526461 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 Sr1 Sr+2 0.5 0.5 0.198 1 0.0 O2 O-2 0 0 0.152 1 0.0 O4 O-2 0 0.5 0 0.205 0.0 O3 O-2 0.5 0.5 0 0.47 0.0 Cu1 Cu+2 0 0 0 0.668 0.0 Cu2 Cu+2 0 0 0.352 1 0.0 O1 O-2 0 0.5 0.37 1 0.0 Y1 Y+3 0.5 0.5 0.5 1 0.0 As1 As+3 0 0 0 0.328 0.0