#------------------------------------------------------------------------------ #$Date: 2018-01-15 00:43:10 +0200 (Mon, 15 Jan 2018) $ #$Revision: 205206 $ #$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 ; Crystal structure of strontium nitrate ; _journal_name_full 'Crystals structures, Vol. II' _journal_year 1951 _chemical_formula_structural Sr(NO3)2 _chemical_formula_sum 'N2 O6 Sr' _chemical_name_systematic 'Strontium nitrate' _space_group_crystal_system cubic _space_group_IT_number 205 _space_group_name_Hall '-P 2ac 2ab 3' _space_group_name_H-M_alt 'P a -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.81 _cell_length_b 7.81 _cell_length_c 7.81 _cell_volume 476.380 _cod_depositor_comments ; Removing symmetrically equivalent atoms and updating the atomic coordinates after consulting the later works of R. W. G. Wyckoff ("Crystal structures" Vol. II, published by Interscience Publishers, Inc., New York, 1951). The lattice parameters were taken from Chapter VII, text page 22 and the atomic coordinates were taken from Chapter VII, table page 25. Antanas Vaitkus, 2018-01-15 ; _cod_original_sg_symbol_H-M 'P a 3' _cod_original_formula_sum 'Sr N2 O6' _cod_database_code 5910116 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 z,x,y 3 y,z,x 4 -y+1/2,-z,x+1/2 5 z+1/2,-x+1/2,-y 6 -y,z+1/2,-x+1/2 7 -z+1/2,-x,y+1/2 8 -z,x+1/2,-y+1/2 9 y+1/2,-z+1/2,-x 10 x+1/2,-y+1/2,-z 11 -x,y+1/2,-z+1/2 12 -x+1/2,-y,z+1/2 13 -x,-y,-z 14 -z,-x,-y 15 -y,-z,-x 16 y+1/2,z,-x+1/2 17 -z+1/2,x+1/2,y 18 y,-z+1/2,x+1/2 19 z+1/2,x,-y+1/2 20 z,-x+1/2,y+1/2 21 -y+1/2,z+1/2,x 22 -x+1/2,y+1/2,z 23 x,-y+1/2,z+1/2 24 x+1/2,y,-z+1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Sr1 Sr2+ 0 0 0 N1 N5+ 0.341 0.341 0.341 O1 O2- 0.264 0.291 0.468