#------------------------------------------------------------------------------ #$Date: 2017-10-15 03:23:08 +0300 (Sun, 15 Oct 2017) $ #$Revision: 202022 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/13/9011344.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9011344 loop_ _publ_author_name 'Nowotny, H.' 'Heger, G.' _publ_section_title ;Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate, Ba(NO3)2 Locality: synthetic ; _journal_name_full 'Acta Crystallographica, Section C' _journal_page_first 952 _journal_page_last 956 _journal_paper_doi 10.1107/S0108270183006976 _journal_volume 39 _journal_year 1983 _chemical_formula_structural Sr(NO3)2 _chemical_formula_sum 'N2 O6 Sr' _space_group_IT_number 205 _symmetry_space_group_name_Hall '-P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P a -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.7813 _cell_length_b 7.7813 _cell_length_c 7.7813 _cell_volume 471.147 _exptl_crystal_density_diffrn 2.984 _cod_original_sg_symbol_H-M 'P a 3' _cod_original_formula_sum 'Sr N2 O6' _cod_database_code 9011344 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+z,x,1/2-y z,1/2-x,1/2+y 1/2-z,1/2+x,y -z,-x,-y 1/2+y,1/2-z,-x 1/2-y,-z,1/2+x -y,1/2+z,1/2-x y,z,x x,1/2-y,1/2+z 1/2-x,1/2+y,z 1/2+x,y,1/2-z -x,-y,-z 1/2-z,-x,1/2+y -z,1/2+x,1/2-y 1/2+z,1/2-x,-y z,x,y 1/2-y,1/2+z,x 1/2+y,z,1/2-x y,1/2-z,1/2+x -y,-z,-x -x,1/2+y,1/2-z 1/2+x,1/2-y,-z 1/2-x,-y,1/2+z loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Sr 0.01264 0.01264 0.01264 0.00018 0.00018 0.00018 N 0.01432 0.01432 0.01432 0.00058 0.00058 0.00058 O 0.02528 0.02466 0.01577 0.00503 0.00567 0.00466 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Sr 0.00000 0.00000 0.00000 N 0.34510 0.34510 0.34510 O 0.27376 0.28503 0.47538 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 MPOD 1000215 2 MPOD 1000226