#------------------------------------------------------------------------------ #$Date: 2015-10-13 11:49:08 +0300 (Tue, 13 Oct 2015) $ #$Revision: 166970 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/09/2310927.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # 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_2310927 loop_ _publ_author_name 'Olovsson, I.' 'Templeton, D.H.' _publ_section_title ; X-ray study of solid ammonia ; _journal_name_full 'Acta Crystallographica (1,1948-23,1967)' _journal_page_first 832 _journal_page_last 836 _journal_volume 12 _journal_year 1959 _chemical_formula_sum 'H3 N' _chemical_name_systematic 'N H3' _space_group_IT_number 198 _symmetry_space_group_name_Hall 'P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P 21 3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.138 _cell_length_b 5.138 _cell_length_c 5.138 _cell_volume 135.638 _citation_journal_id_ASTM ACCRA9 _cod_data_source_file Olovsson_ACCRA9_1959_1378.cif _cod_data_source_block H3N1 _cod_original_cell_volume 135.6383 _cod_chemical_formula_sum_orig 'H3 N1' _cod_database_code 2310927 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z -x,y+1/2,-z+1/2 z,x,y -z+1/2,-x,y+1/2 z+1/2,-x+1/2,-y -z,x+1/2,-y+1/2 y,z,x y+1/2,-z+1/2,-x -y,z+1/2,-x+1/2 -y+1/2,-z,x+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 N1 N-3 0.0401 0.0401 0.0401 1 0.0