#------------------------------------------------------------------------------ #$Date: 2015-09-29 06:41:43 +0100 (Tue, 29 Sep 2015) $ #$Revision: 158901 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/28/1532893.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_1532893 loop_ _publ_author_name 'Jennings, A.J.' 'Skinner, S.J.' 'Helgason, O.' _publ_section_title ; Lax Sr2-x Fey Ru1-y O4+d: a new family of K2 Ni F4 type oxides ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 45 _journal_page_last 54 _journal_volume 177 _journal_year 2004 _chemical_formula_sum 'Fe0.95 La0.72 O4 Ru0.05 Sr1.28' _chemical_name_systematic '(La0.72 Sr1.28) ((Fe0.95 Ru0.05) O4)' _space_group_IT_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.88087 _cell_length_b 3.88087 _cell_length_c 12.69903 _cell_volume 191.262 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Jennings_JSSCBI_2004_1842.cif _cod_data_source_block Fe0.95La0.72O4Ru0.05Sr1.28 _cod_database_code 1532893 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 x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 -y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 y+1/2,x+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 O2 O-2 0 0 0.1646 1 0.0 O1 O-2 0 0.5 0 1 0.0 Sr1 Sr+2 0 0 0.35791 0.639 0.0 La1 La+3 0 0 0.35791 0.361 0.0 Fe1 Fe+3 0 0 0 0.947 0.0 Ru1 Ru+5 0 0 0 0.053 0.0