#------------------------------------------------------------------------------ #$Date: 2016-01-01 14:45:08 +0200 (Fri, 01 Jan 2016) $ #$Revision: 172417 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/11/1541163.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_1541163 loop_ _publ_author_name 'Remschnig, K.' 'Rogl, P.' 'Gratz, E.' 'Fischer, P.' 'Mueller, H.' _publ_section_title ; Neutron and low temperature x-ray powder diffraction and thermal expansion measurements on La1.85 Sr.15 Cu1-x Znx O4-y ; _journal_name_full 'Physica C (Amsterdam)' _journal_page_first 458 _journal_page_last 464 _journal_volume 158 _journal_year 1989 _chemical_formula_sum 'Cu0.75 La1.85 O3.92 Sr0.15 Zn0.25' _chemical_name_systematic 'La1.85 Sr.15 Cu.75 Zn.25 O3.92' _space_group_IT_number 64 _symmetry_space_group_name_Hall '-C 2ac 2' _symmetry_space_group_name_H-M 'C m c e' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.3466 _cell_length_b 13.0864 _cell_length_c 5.398 _cell_volume 377.686 _citation_journal_id_ASTM PHYCE6 _cod_data_source_file Remschnig_PHYCE6_1989_1078.cif _cod_data_source_block Cu0.75La1.85O3.92Sr0.15Zn0.25 _cod_cif_authors_sg_H-M 'C m c a' _cod_original_cell_volume 377.6859 _cod_database_code 1541163 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x,-y,-z -x+1/2,y,-z+1/2 -x,-y,-z x-1/2,y,-z-1/2 -x,y,z x-1/2,-y,z-1/2 x+1/2,y+1/2,z -x+1,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x,y+1/2,-z-1/2 -x+1/2,y+1/2,z x,-y+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 Zn1 Zn+2 0 0 0 0.25 0.0 O2 O-2 0 0.1816 0.967 0.99 0.0 La1 La+3 0 0.3609 0.0083 0.925 0.0 Cu1 Cu+2 0 0 0 0.75 0.0 O1 O-2 0.25 0.0075 0.25 0.97 0.0 Sr1 Sr+2 0 0.3609 0.0083 0.075 0.0