#------------------------------------------------------------------------------ #$Date: 2016-07-07 11:09:50 +0300 (Thu, 07 Jul 2016) $ #$Revision: 184280 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/56/9015628.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_9015628 loop_ _publ_author_name 'West, C.' _publ_section_title ; The Crystal Structures of Some Alkali Hydrosulfides and Monosulfides. _cod_database_code 1010249 ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 97 _journal_page_last 115 _journal_volume 88 _journal_year 1934 _chemical_formula_sum 'N S' _space_group_IT_number 129 _symmetry_space_group_name_Hall 'P 4ab 2ab -1ab' _symmetry_space_group_name_H-M 'P 4/n m m :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 6.011 _cell_length_b 6.011 _cell_length_c 4.009 _cell_volume 144.854 _database_code_amcsd 0017181 _exptl_crystal_density_diffrn 1.056 _cod_duplicate_entry 1010249 _cod_original_sg_symbol_H-M 'P 4/n m m' _cod_database_code 9015628 _amcsd_formula_title 'H5 N S' loop_ _space_group_symop_operation_xyz x,y,z 1/2-y,1/2-x,z y,x,-z y,-x,-z 1/2-y,1/2+x,z x,-y,z 1/2-x,1/2+y,-z 1/2+x,1/2+y,-z -x,-y,z 1/2+y,1/2+x,z -y,-x,-z -y,x,-z 1/2+y,1/2-x,z -x,y,z 1/2+x,1/2-y,-z 1/2-x,1/2-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 S1 0.00000 0.50000 0.34000