#------------------------------------------------------------------------------ #$Date: 2015-07-07 14:42:28 +0300 (Tue, 07 Jul 2015) $ #$Revision: 140735 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/10/1521094.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_1521094 loop_ _publ_author_name 'Green, M.A.' 'Day, P.' 'Prassides, K.' 'Neumann, D.A.' _publ_section_title ; Structure of the n=2 and n=infinity member of the Ruddlesden-Popper series, Srn+1 Snn O3n+1 ; _journal_name_full 'International Journal of Inorganic Materials' _journal_page_first 35 _journal_page_last 41 _journal_volume 2 _journal_year 2000 _chemical_formula_sum 'O7 Sn2 Sr3' _chemical_name_systematic 'Sr3 Sn2 O7' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 20.688 _cell_length_b 5.736 _cell_length_c 5.71 _cell_volume 677.585 _citation_journal_id_ASTM IJIMCR _cod_data_source_file Green_IJIMCR_2000_1688.cif _cod_data_source_block O7Sn2Sr3 _cod_database_code 1521094 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y,-z -x,y,-z+1/2 -x,-y,-z x,y,-z-1/2 -x,y,z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z-1/2 -x+1/2,y+1/2,z x+1/2,-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 Sr2 Sr+2 0.6879 0.261 0.75 1 0.0 O4 O-2 0.5873 0.5 0.5 1 0.0 Sn1 Sn+4 0.5973 0.749 0.75 1 0.0 O1 O-2 0.5 0.805 0.75 1 0.0 O2 O-2 0.6967 0.712 0.75 1 0.0 Sr1 Sr+2 0.5 0.259 0.75 1 0.0 O3 O-2 0.3939 0 0 1 0.0