#------------------------------------------------------------------------------ #$Date: 2015-07-07 00:45:53 +0300 (Tue, 07 Jul 2015) $ #$Revision: 140540 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/60/2106040.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2106040 loop_ _publ_author_name 'Chevalier, P.' 'Ritsma, J.' 'Rouxel, J.' _publ_section_title ; Structure de Rb2 Sn (N H2)6 et K2 Sn (N H2)6 ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 1076 _journal_page_last 1079 _journal_volume 33 _journal_year 1977 _chemical_formula_sum 'H12 K2 N6 Sn' _chemical_name_systematic 'K2 Sn (N H2)6' _space_group_IT_number 166 _symmetry_space_group_name_Hall '-R 3 2"' _symmetry_space_group_name_H-M 'R -3 m :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 6.39 _cell_length_b 6.39 _cell_length_c 19.601 _cell_volume 693.123 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Chevalier_ACBCAR_1977_1880.cif _cod_data_source_block H12K2N6Sn1 _cod_original_cell_volume 693.1234 _cod_chemical_formula_sum_orig 'H12 K2 N6 Sn1' _cod_database_code 2106040 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z -x,-x+y,-z x-y,-y,-z -x,-y,-z y,-x+y,-z x-y,x,-z -y,-x,z x,x-y,z -x+y,y,z x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 y+2/3,x+1/3,-z+1/3 -x+2/3,-x+y+1/3,-z+1/3 x-y+2/3,-y+1/3,-z+1/3 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 -y+2/3,-x+1/3,z+1/3 x+2/3,x-y+1/3,z+1/3 -x+y+2/3,y+1/3,z+1/3 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 y+1/3,x+2/3,-z+2/3 -x+1/3,-x+y+2/3,-z+2/3 x-y+1/3,-y+2/3,-z+2/3 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 -y+1/3,-x+2/3,z+2/3 x+1/3,x-y+2/3,z+2/3 -x+y+1/3,y+2/3,z+2/3 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 Sn1 Sn+4 0 0 0 1 0.0 K1 K+1 0 0 0.1803 1 0.0 N1 N-3 0.1526 -0.1526 0.0643 1 0.0