#------------------------------------------------------------------------------ #$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $ #$Revision: 177123 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/91/01/5910116.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_5910116 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Pages 275 & 280 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931 ; _journal_name_full 'The second edition of Structure of Crystals' _journal_page_first 275 _journal_page_last 280 _journal_year 1931 _chemical_formula_structural Sr(N03)2 _chemical_formula_sum 'N2 O6 Sr' _chemical_name_systematic 'Strontium nitrate' _space_group_IT_number 205 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 205 _symmetry_space_group_name_Hall '-P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P a -3' _audit_creation_date 2005-04-11 _audit_creation_method ; Pages 275 & 280 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931 ; _audit_update_record 'created by Girish Upreti, Portland State University' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.81 _cell_length_b 7.81 _cell_length_c 7.81 _cell_volume 476.380 _cod_original_sg_symbol_H-M 'P a 3' _cod_original_formula_sum 'Sr N2 O6' _cod_database_code 5910116 loop_ _symmetry_equiv_pos_as_xyz x,y,z z,x,y y,z,x -y+1/2,-z,x+1/2 z+1/2,-x+1/2,-y -y,z+1/2,-x+1/2 -z+1/2,-x,y+1/2 -z,x+1/2,-y+1/2 y+1/2,-z+1/2,-x x+1/2,-y+1/2,-z -x,y+1/2,-z+1/2 -x+1/2,-y,z+1/2 -x,-y,-z -z,-x,-y -y,-z,-x y+1/2,z,-x+1/2 -z+1/2,x+1/2,y y,-z+1/2,x+1/2 z+1/2,x,-y+1/2 z,-x+1/2,y+1/2 -y+1/2,z+1/2,x -x+1/2,y+1/2,z x,-y+1/2,z+1/2 x+1/2,y,-z+1/2 loop_ _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_label 0.00000 0.00000 0.00000 Sr1 0.50000 0.50000 0.00000 Sr2 0.50000 0.00000 0.50000 Sr3 0.00000 0.00000 0.50000 Sr4 0.41000 0.41000 0.41000 N1 0.91000 0.09000 -0.41000 N2 -0.41000 0.91000 0.09000 N3 0.09000 -0.41000 0.91000 N4 0.29000 0.29000 0.49000 O1 0.79000 0.21000 -0.49000 O2 -0.29000 0.79000 0.01000 O3 0.21000 -0.29000 0.99000 O4