#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/03/1010349.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_1010349 _chemical_name_systematic 'Rubidium trinitromercurate' _chemical_formula_structural 'Rb Hg (N O2)3' _chemical_formula_sum 'Hg N3 O6 Rb' _publ_section_title 'Mercurinitriti di metalli monovalenti' loop_ _publ_author_name 'Ferrari, A' 'Colla, C' _journal_name_full 'Gazzetta Chimica Italiana' _journal_coden_ASTM GCITA9 _journal_volume 65 _journal_year 1935 _journal_page_first 789 _journal_page_last 797 _cell_length_a 5.45 _cell_length_b 5.45 _cell_length_c 5.45 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 161.9 _cell_formula_units_Z 1 _symmetry_space_group_name_H-M 'P m -3' _symmetry_Int_Tables_number 200 _symmetry_cell_setting cubic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,-y,-z' '-x,y,-z' '-x,-y,z' 'y,z,x' '-y,-z,x' 'y,-z,-x' '-y,z,-x' 'z,x,y' '-z,x,-y' '-z,-x,y' 'z,-x,-y' '-x,-y,-z' '-x,y,z' 'x,-y,z' 'x,y,-z' '-y,-z,-x' 'y,z,-x' '-y,z,x' 'y,-z,x' '-z,-x,-y' 'z,-x,y' 'z,x,-y' '-z,x,y' loop_ _atom_type_symbol _atom_type_oxidation_number Rb1+ 1.000 Hg2+ 2.000 N3+ 3.000 O2- -2.000 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 Rb1 Rb1+ 1 a 0. 0. 0. 1. 0 d Hg1 Hg2+ 1 b 0.5 0.5 0.5 1. 0 d N1 N3+ 3 c 0. 0.5 0.5 1. 0 d O1 O2- 6 g 0. 0.24 0.5 1. 0 d _cod_database_code 1010349