#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/13/7221379.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_7221379 loop_ _publ_author_name 'Spangenberg, M.' 'Bronger, W.' _publ_section_title ; K2 Pt S15, Synthese und Kristallstruktur ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) ; _journal_page_first 482 _journal_page_last 484 _journal_volume 33 _journal_year 1978 _chemical_formula_sum 'K2 Pt S15' _chemical_name_systematic 'K2 Pt S15' _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90 _cell_angle_beta 92.61 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 15.73 _cell_length_b 9.829 _cell_length_c 12.832 _cell_volume 1981.900 _citation_journal_id_ASTM ZNBAD2 _cod_data_source_file Spangenberg_ZNBAD2_1978_691.cif _cod_data_source_block K2Pt1S15 _cod_original_cell_volume 1981.9 _cod_original_formula_sum 'K2 Pt1 S15' _cod_database_code 7221379 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,z+1/2 x+1/2,y+1/2,z x+1/2,-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 S15 S 0.1296 0.287 0.667 1 0.0 S1 S 0.0514 0.118 0.585 1 0.0 S4 S -0.2217 0.199 0.796 1 0.0 S9 S 0.0252 0.568 0.72 1 0.0 S14 S 0.1507 0.162 0.542 1 0.0 S11 S 0.0701 -0.009 0.794 1 0.0 K2 K 0.264 0.075 0.854 1 0.0 S13 S 0.2039 -0.018 0.607 1 0.0 K1 K 0.377 0.308 0.586 1 0.0 S10 S -0.0657 0.418 0.722 1 0.0 S5 S -0.1108 0.114 0.843 1 0.0 S3 S -0.2496 0.111 0.656 1 0.0 S7 S 0.1414 0.44 0.906 1 0.0 S12 S 0.097 -0.112 0.662 1 0.0 S2 S -0.1693 0.202 0.56 1 0.0 S6 S 0.062 0.276 0.917 1 0.0 S8 S 0.0609 0.605 0.874 1 0.0 Pt1 Pt 0 0.2053 0.75 1 0.0