#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/87/1528749.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_1528749 loop_ _publ_author_name 'Motomitsu, E.' 'Yanagi, H.' 'Kamiya, T.' 'Hosono, H.' 'Hirano, M.' _publ_section_title ; Synthesis, structure and physical properties of layered semiconductors M Cu F Ch (M=Sr, Eu, Ch=S, Se) ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 1668 _journal_page_last 1673 _journal_volume 179 _journal_year 2006 _chemical_formula_sum 'Cu Eu F Se' _chemical_name_systematic 'Eu Cu F Se' _space_group_IT_number 129 _symmetry_space_group_name_Hall '-P 4a 2a' _symmetry_space_group_name_H-M 'P 4/n m m :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.057 _cell_length_b 4.057 _cell_length_c 8.815 _cell_volume 145.088 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Motomitsu_JSSCBI_2006_1159.cif _cod_data_source_block Cu1Eu1F1Se1 _cod_original_cell_volume 145.0883 _cod_original_formula_sum 'Cu1 Eu1 F1 Se1' _cod_database_code 1528749 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x,z -x+1/2,-y+1/2,z y,-x+1/2,z x+1/2,-y,-z y+1/2,x+1/2,-z -x,y+1/2,-z -y,-x,-z -x,-y,-z y-1/2,-x,-z x-1/2,y-1/2,-z -y,x-1/2,-z -x-1/2,y,z -y-1/2,-x-1/2,z x,-y-1/2,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 F1 F-1 0.25 0.75 0.5 1 0.0 Eu1 Eu+2 0.25 0.25 0.1635 1 0.0 Cu1 Cu+1 0.25 0.75 0 1 0.0 Se1 Se-2 0.25 0.25 0.6698 1 0.0