#------------------------------------------------------------------------------ #$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/25/1532552.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_1532552 loop_ _publ_author_name 'Kuz'micheva, G.M.' 'Afanas'eva, I.N.' 'Khlybov, E.P.' 'Kostyleva, I.E.' 'Esaulova, Yu.V.' 'Andreenko, A.S.' _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 'Bi0.45 Ca Cu2.55 O7.07 Sr2' _chemical_name_systematic '(Bi0.45 Cu0.55) Sr2 Ca Cu2 O7.07' _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 3.796 _cell_length_b 3.796 _cell_length_c 12.689 _cell_volume 182.844 _citation_journal_id_ASTM ZSTKAI _cod_data_source_file Kuzmicheva_ZSTKAI_2002_1179.cif _cod_data_source_block Bi0.45Ca1Cu2.55O7.07Sr2 _cod_original_cell_volume 182.8436 _cod_original_formula_sum 'Bi0.45 Ca1 Cu2.55 O7.07 Sr2' _cod_database_code 1532552 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 Bi1 Bi+5 0.03 0 0 0.113 0.0 Cu1 Cu+2 0.03 0 0 0.137 0.0 O3 O-2 0 0 0.1529 1 0.0 O1 O-2 0.432 0.5 0 0.25 0.0 Cu2 Cu+2 0 0 0.347 1 0.0 Ca1 Ca+2 0.5 0.5 0.5 1 0.0 O2 O-2 0.5 0 0 0.035 0.0 Sr1 Sr+2 0.5 0.5 0.1923 1 0.0 O4 O-2 0.5 0 0.3636 1 0.0