#------------------------------------------------------------------------------ #$Date: 2015-09-12 21:56:19 +0300 (Sat, 12 Sep 2015) $ #$Revision: 156268 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/10/1531013.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_1531013 loop_ _publ_author_name 'Yoshiasa, A.' 'Ueno, K.' 'Horiuchi, H.' 'Kanamaru, F.' _publ_section_title ; Structure of Sr4 Fe6 O13, a new perovskite-derivative in the Sr-Fe-O system ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 175 _journal_page_last 181 _journal_volume 21 _journal_year 1986 _chemical_formula_sum 'Fe6 O13 Sr4' _chemical_name_systematic 'Sr4 (Fe6 O13)' _space_group_IT_number 45 _symmetry_space_group_name_Hall 'I 2 -2c' _symmetry_space_group_name_H-M 'I b a 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.103 _cell_length_b 18.924 _cell_length_c 5.572 _cell_volume 1170.751 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Yoshiasa_MRBUAC_1986_1247.cif _cod_data_source_block Fe6O13Sr4 _cod_database_code 1531013 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z -x,y,z+1/2 x,-y,z+1/2 x+1/2,y+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 -x+1/2,y+1/2,z+1 x+1/2,-y+1/2,z+1 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 O7 O-2 0.5 0.5 -0.19 1 0.0 O4 O-2 0.251 0.25 0.26 1 0.0 O6 O-2 0.411 0.039 -0.07 1 0.0 O5 O-2 0.211 0.039 0.38 1 0.0 Fe3 Fe+3 0.12 0.2442 -0.004 1 0.0 Sr2 Sr+2 0.3805 0.1626 0 1 0.0 O2 O-2 0.126 0.365 -0.02 1 0.0 O3 O-2 -0.008 0.242 0.24 1 0.0 Fe2 Fe+3 0.1141 0.4563 0.08 1 0.0 Fe1 Fe+3 0.1247 0.0401 0.043 1 0.0 Sr1 Sr+2 0.3648 0.3432 0.002 1 0.0 O1 O-2 0.141 0.135 -0.03 1 0.0