#------------------------------------------------------------------------------ #$Date: 2015-10-10 06:46:19 +0300 (Sat, 10 Oct 2015) $ #$Revision: 164765 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/68/1536874.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_1536874 loop_ _publ_author_name 'Korber, N.' 'Richter, F.' _publ_section_title ; Low-temperature synthesis of diamminesodium(1+) triamminesodium(3-) trithioantimonate(3-) ammoniate (1:2:1:2) ((Na (N H3)3)2 (Na (N H3)2)) Sb S3 * 2(N H3), a solvated neutral sodium trithioantimonate(3-) (3:1) Na3 Sb S3 ion complex ; _journal_name_full 'Helvetica Chimica Acta' _journal_page_first 2368 _journal_page_last 2372 _journal_volume 84 _journal_year 2001 _chemical_formula_sum 'H30 N10 Na3 S3 Sb' _chemical_name_systematic '((Na (N H3)3)2 (Na (N H3)2) (Sb S3)) (N H3)2' _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 91.362 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.828 _cell_length_b 6.0702 _cell_length_c 33.4377 _cell_volume 1994.260 _citation_journal_id_ASTM HCACAV _cod_data_source_file Korber_HCACAV_2001_142.cif _cod_data_source_block H30N10Na3S3Sb1 _cod_original_cell_volume 1994.26 _cod_chemical_formula_sum_orig 'H30 N10 Na3 S3 Sb1' _cod_database_code 1536874 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 H7 H+1 0.226 -0.334 0.1937 1 0.0 H28 H+1 -0.099 0.289 0.1846 1 0.0 N10 N-3 -0.1778 0.2703 0.19616 1 0.0 N3 N-3 0.2389 -0.205 0.20554 1 0.0 H25 H+1 0.149 0.136 0.269 1 0.0 H24 H+1 0.331 -0.212 -0.021 1 0.0 S1 S-2 0.17285 0.28993 0.150538 1 0.0 H26 H+1 0.158 0.284 0.2381 1 0.0 H12 H+1 -0.058 -0.184 0.1574 1 0.0 H5 H+1 0.678 -0.213 0.1852 1 0.0 N1 N-3 0.4739 0.3306 0.22605 1 0.0 N8 N-3 0.3902 -0.2632 -0.00435 1 0.0 H10 H+1 -0.125 -0.302 0.1299 1 0.0 H4 H+1 0.589 -0.331 0.1584 1 0.0 H3 H+1 0.452 0.469 0.2126 1 0.0 H1 H+1 0.431 0.358 0.2469 1 0.0 Na2 Na+1 0.06023 -0.00211 0.08809 1 0.0 H30 H+1 -0.237 0.29 0.1795 1 0.0 N7 N-3 0.6673 -0.222 0.06065 1 0.0 H21 H+1 0.691 -0.263 0.0373 1 0.0 H2 H+1 0.555 0.347 0.2318 1 0.0 H13 H+1 0.086 -0.377 0.0319 1 0.0 H11 H+1 0.008 -0.358 0.143 1 0.0 Na3 Na+1 0.45545 -0.02399 0.05311 1 0.0 H14 H+1 -0.027 -0.259 0.0146 1 0.0 H19 H+1 0.737 -0.155 0.0703 1 0.0 H29 H+1 -0.177 0.121 0.2047 1 0.0 H27 H+1 0.041 0.283 0.2599 1 0.0 N6 N-3 -0.1257 0.268 0.08168 1 0.0 Sb1 Sb+3 0.312533 0.46528 0.101889 1 0.0 H18 H+1 -0.079 0.323 0.0987 1 0.0 H15 H+1 0.098 -0.152 0.0141 1 0.0 H9 H+1 0.216 -0.204 0.2296 1 0.0 H8 H+1 0.173 -0.118 0.1927 1 0.0 N9 N-3 0.1339 0.2728 0.26103 1 0.0 Na1 Na+1 0.40993 0.04796 0.17756 1 0.0 S2 S-2 0.52987 0.29397 0.114033 1 0.0 H17 H+1 -0.12 0.354 0.062 1 0.0 H6 H+1 0.636 -0.113 0.1497 1 0.0 S3 S-2 0.24045 0.27128 0.04249 1 0.0 N2 N-3 0.6052 -0.2035 0.16807 1 0.0 N4 N-3 -0.0437 -0.2456 0.13711 1 0.0 H22 H+1 0.353 -0.37 0.0063 1 0.0 H16 H+1 -0.216 0.274 0.0919 1 0.0 H20 H+1 0.651 -0.333 0.0722 1 0.0 N5 N-3 0.0431 -0.2377 0.02843 1 0.0 H23 H+1 0.458 -0.333 -0.0163 1 0.0