#------------------------------------------------------------------------------ #$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $ #$Revision: 86000 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/42/9014232.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_9014232 loop_ _publ_author_name 'Frevel, L.' _publ_section_title ; The Crystal Structure of Ammonium Azide, N H4 N3 _cod_database_code 1010271 ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 197 _journal_page_last 211 _journal_volume 94 _journal_year 1936 _chemical_formula_sum N _space_group_IT_number 53 _symmetry_space_group_name_Hall '-P 2ab 2' _symmetry_space_group_name_H-M 'P m a n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 8.930 _cell_length_b 8.642 _cell_length_c 3.800 _cell_volume 293.258 _database_code_amcsd 0017197 _exptl_crystal_density_diffrn 1.269 _cod_database_code 9014232 _amcsd_formula_title 'H4 N4' loop_ _space_group_symop_operation_xyz x,y,z 1/2+x,1/2+y,-z 1/2-x,1/2-y,z -x,y,z x,-y,-z 1/2+x,1/2-y,z 1/2-x,1/2+y,-z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z N1 0.00000 0.00000 0.00000 N2 0.50000 0.00000 0.00000 N3 0.13100 0.00000 0.00000 N4 0.50000 0.12300 0.12000 N5 0.25000 0.25000 0.53300