#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/34/42/4344232.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_4344232 loop_ _publ_author_name 'Gillespie, R.J.' 'Sawyer, J.F.' 'Kent, J.P.' _publ_section_title ; Reactions of S4 N4 and S3 N3 Cl3 with selenium chlorides. The preparations and crystal structures of Se S2 N2 Cl2, (S5 N5) (Se Cl5), and the disordered materials (Se(x) S(3-x) N2 Cl) (Sb Cl6) ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 1251 _journal_page_last 1259 _journal_volume 29 _journal_year 1990 _chemical_formula_sum 'Cl7 N2 S1.56 Sb Se1.44' _chemical_name_systematic '(Se1.44 S1.56 N2 Cl) (Sb Cl6)' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 97.52 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7 _cell_length_b 14.294 _cell_length_c 13.486 _cell_volume 1337.776 _citation_journal_id_ASTM INOCAJ _cod_data_source_file Gillespie_INOCAJ_1990_1994.cif _cod_data_source_block Cl7N2S1.56Sb1Se1.44 _cod_original_formula_sum 'Cl7 N2 S1.56 Sb1 Se1.44' _cod_database_code 4344232 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-y-1/2,z-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 0.8021 0.479 0.1835 1 0.0 Cl2 Cl-1 0.36 0.2877 0.634 1 0.0 N2 N+3 0.6319 0.4542 0.3412 1 0.0 Cl1 Cl-1 -0.0342 0.2555 0.323 1 0.0 Cl6 Cl-1 0.2181 0.4294 0.4431 1 0.0 Cl5 Cl-1 0.1002 0.1131 0.5207 1 0.0 Sb1 Sb+5 0.15752 0.27065 0.47943 1 0.0 S1 S-2 0.6396 0.415 0.1224 0.78 0.0 Cl3 Cl-1 0.4284 0.2223 0.4053 1 0.0 Se2 Se-2 0.6396 0.415 0.1224 0.22 0.0 Cl7 Cl-1 0.7174 0.0533 0.2907 1 0.0 Se3 Se-2 0.8098 0.4993 0.2975 0.22 0.0 Se1 Se 0.4332 0.4339 0.24 1 0.0 Cl4 Cl-1 -0.1102 0.3181 0.5549 1 0.0 S2 S-2 0.8098 0.4993 0.2975 0.78 0.0