#------------------------------------------------------------------------------ #$Date: 2015-09-17 03:12:19 +0300 (Thu, 17 Sep 2015) $ #$Revision: 156377 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/21/7222157.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_7222157 loop_ _publ_author_name 'Aikens, L.D.' 'Gillie, L.J.' 'Li, R.-K.' 'Greaves, C.' _publ_section_title ; Staged fluorine insertion into manganese oxides with Ruddlesden- Popper structures: La Sr Mn O4 F and La1.2 Sr1.8 Mn2 O7 F ; _journal_name_full 'Journal of Materials Chemistry' _journal_page_first 264 _journal_page_last 267 _journal_volume 12 _journal_year 2002 _chemical_formula_sum 'F La Mn O4 Sr' _chemical_name_systematic 'La Sr (Mn O4) F' _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 3.77696 _cell_length_b 3.77696 _cell_length_c 14.1026 _cell_volume 201.180 _citation_journal_id_ASTM JMACEP _cod_data_source_file Aikens_JMACEP_2002_612.cif _cod_data_source_block F1La1Mn1O4Sr1 _cod_original_cell_volume 201.1796 _cod_chemical_formula_sum_orig 'F1 La1 Mn1 O4 Sr1' _cod_database_code 7222157 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 O2 O-2 0.75 0.75 0.0764 1 0.0 La1 La+3 0.25 0.25 0.09857 0.5 0.0 O1 O-2 0.75 0.25 0.22103 1 0.0 Sr1 Sr+2 0.25 0.25 0.09857 0.5 0.0 Sr2 Sr+2 0.25 0.25 0.38277 0.5 0.0 O3 O-2 0.75 0.75 0.3546 1 0.0 La2 La+3 0.25 0.25 0.38277 0.5 0.0 Mn1 Mn+4 0.75 0.75 0.2287 1 0.0 F1 F-1 0.75 0.25 0.5 1 0.0