#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/06/1010600.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_1010600 _chemical_name_systematic 'Rubidium hexakis(thiocyanato)platinate' _chemical_formula_structural 'Rb2 Pt (S C N)6' _chemical_formula_sum 'N6 Pt Rb2 S6' _publ_section_title ; The Atomic Arrangement in Crystals of the Alkali Platini-Thiocyanates ; loop_ _publ_author_name 'Hendricks, S B' 'Merwin, H E' _journal_name_full ; American Journal of Science, Serie 5(1,1921-1938) ; _journal_coden_ASTM AJSC5L _journal_volume 15 _journal_year 1928 _journal_page_first 487 _journal_page_last 494 _cell_length_a 6.75 _cell_length_b 6.75 _cell_length_c 10.47 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 413.1 _cell_formula_units_Z 1 _symmetry_space_group_name_H-M 'P -3 m 1' _symmetry_Int_Tables_number 164 _symmetry_cell_setting trigonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' '-y,-x,z' 'x,x-y,z' 'y-x,y,z' '-x,-y,-z' 'y,y-x,-z' 'x-y,x,-z' 'y,x,-z' '-x,y-x,-z' 'x-y,-y,-z' loop_ _atom_type_symbol _atom_type_oxidation_number Pt4+ 4.000 Rb1+ 1.000 S2- -2.000 C4+ 4.000 N3- -3.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Pt1 Pt4+ 1 a 0. 0. 0. 1. 0 d Rb1 Rb1+ 2 d 0.3333 0.6667 0.5 1. 0 d S1 S2- 6 i 0.13 -0.13 0.11 1. 0 d C1 C4+ 6 i -1. -1. -1. 1. 0 dum N1 N3- 6 i -1. -1. -1. 1. 0 dum _cod_database_code 1010600