#------------------------------------------------------------------------------ #$Date: 2017-09-11 16:25:09 +0300 (Mon, 11 Sep 2017) $ #$Revision: 200452 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/09/1010992.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_1010992 loop_ _publ_author_name 'Bozorth, R M' _publ_section_title ; The Crystal Structure of Ammonium Fluosilicate ; _journal_coden_ASTM JACSAT _journal_name_full 'Journal of the American Chemical Society' _journal_page_first 1066 _journal_page_last 1070 _journal_paper_doi 10.1021/ja01426a018 _journal_volume 44 _journal_year 1922 _chemical_compound_source synthetic _chemical_formula_structural '(N H4)2 (Si F6)' _chemical_formula_sum 'F6 H8 N2 Si' _chemical_name_mineral Cryptohalite _chemical_name_systematic 'Ammonium hexafluorosilicate' _space_group_IT_number 225 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 225 _symmetry_space_group_name_Hall '-F 4 2 3' _symmetry_space_group_name_H-M 'F m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.38 _cell_length_b 8.38 _cell_length_c 8.38 _cell_volume 588.5 _exptl_crystal_density_meas 2.01 _cod_original_formula_sum 'H8 F6 N2 Si' _cod_database_code 1010992 _cod_depositor_comments ; Removing dummy H atoms since the hydrogen atoms they represent are already marked using the _atom_site_attached_hydrogens data item. Antanas Vaitkus, 2017-09-11 ; loop_ _symmetry_equiv_pos_as_xyz x,y,z y,z,x z,x,y x,z,y y,x,z z,y,x x,-y,-z y,-z,-x z,-x,-y x,-z,-y y,-x,-z z,-y,-x -x,y,-z -y,z,-x -z,x,-y -x,z,-y -y,x,-z -z,y,-x -x,-y,z -y,-z,x -z,-x,y -x,-z,y -y,-x,z -z,-y,x -x,-y,-z -y,-z,-x -z,-x,-y -x,-z,-y -y,-x,-z -z,-y,-x -x,y,z -y,z,x -z,x,y -x,z,y -y,x,z -z,y,x x,-y,z y,-z,x z,-x,y x,-z,y y,-x,z z,-y,x x,y,-z y,z,-x z,x,-y x,z,-y y,x,-z z,y,-x x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2+y,z y,1/2+z,1/2+x 1/2+y,z,1/2+x 1/2+y,1/2+z,x z,1/2+x,1/2+y 1/2+z,x,1/2+y 1/2+z,1/2+x,y x,1/2+z,1/2+y 1/2+x,z,1/2+y 1/2+x,1/2+z,y y,1/2+x,1/2+z 1/2+y,x,1/2+z 1/2+y,1/2+x,z z,1/2+y,1/2+x 1/2+z,y,1/2+x 1/2+z,1/2+y,x x,1/2-y,1/2-z 1/2+x,-y,1/2-z 1/2+x,1/2-y,-z y,1/2-z,1/2-x 1/2+y,-z,1/2-x 1/2+y,1/2-z,-x z,1/2-x,1/2-y 1/2+z,-x,1/2-y 1/2+z,1/2-x,-y x,1/2-z,1/2-y 1/2+x,-z,1/2-y 1/2+x,1/2-z,-y y,1/2-x,1/2-z 1/2+y,-x,1/2-z 1/2+y,1/2-x,-z z,1/2-y,1/2-x 1/2+z,-y,1/2-x 1/2+z,1/2-y,-x -x,1/2+y,1/2-z 1/2-x,y,1/2-z 1/2-x,1/2+y,-z -y,1/2+z,1/2-x 1/2-y,z,1/2-x 1/2-y,1/2+z,-x -z,1/2+x,1/2-y 1/2-z,x,1/2-y 1/2-z,1/2+x,-y -x,1/2+z,1/2-y 1/2-x,z,1/2-y 1/2-x,1/2+z,-y -y,1/2+x,1/2-z 1/2-y,x,1/2-z 1/2-y,1/2+x,-z -z,1/2+y,1/2-x 1/2-z,y,1/2-x 1/2-z,1/2+y,-x -x,1/2-y,1/2+z 1/2-x,-y,1/2+z 1/2-x,1/2-y,z -y,1/2-z,1/2+x 1/2-y,-z,1/2+x 1/2-y,1/2-z,x -z,1/2-x,1/2+y 1/2-z,-x,1/2+y 1/2-z,1/2-x,y -x,1/2-z,1/2+y 1/2-x,-z,1/2+y 1/2-x,1/2-z,y -y,1/2-x,1/2+z 1/2-y,-x,1/2+z 1/2-y,1/2-x,z -z,1/2-y,1/2+x 1/2-z,-y,1/2+x 1/2-z,1/2-y,x -x,1/2-y,1/2-z 1/2-x,-y,1/2-z 1/2-x,1/2-y,-z -y,1/2-z,1/2-x 1/2-y,-z,1/2-x 1/2-y,1/2-z,-x -z,1/2-x,1/2-y 1/2-z,-x,1/2-y 1/2-z,1/2-x,-y -x,1/2-z,1/2-y 1/2-x,-z,1/2-y 1/2-x,1/2-z,-y -y,1/2-x,1/2-z 1/2-y,-x,1/2-z 1/2-y,1/2-x,-z -z,1/2-y,1/2-x 1/2-z,-y,1/2-x 1/2-z,1/2-y,-x -x,1/2+y,1/2+z 1/2-x,y,1/2+z 1/2-x,1/2+y,z -y,1/2+z,1/2+x 1/2-y,z,1/2+x 1/2-y,1/2+z,x -z,1/2+x,1/2+y 1/2-z,x,1/2+y 1/2-z,1/2+x,y -x,1/2+z,1/2+y 1/2-x,z,1/2+y 1/2-x,1/2+z,y -y,1/2+x,1/2+z 1/2-y,x,1/2+z 1/2-y,1/2+x,z -z,1/2+y,1/2+x 1/2-z,y,1/2+x 1/2-z,1/2+y,x x,1/2-y,1/2+z 1/2+x,-y,1/2+z 1/2+x,1/2-y,z y,1/2-z,1/2+x 1/2+y,-z,1/2+x 1/2+y,1/2-z,x z,1/2-x,1/2+y 1/2+z,-x,1/2+y 1/2+z,1/2-x,y x,1/2-z,1/2+y 1/2+x,-z,1/2+y 1/2+x,1/2-z,y y,1/2-x,1/2+z 1/2+y,-x,1/2+z 1/2+y,1/2-x,z z,1/2-y,1/2+x 1/2+z,-y,1/2+x 1/2+z,1/2-y,x x,1/2+y,1/2-z 1/2+x,y,1/2-z 1/2+x,1/2+y,-z y,1/2+z,1/2-x 1/2+y,z,1/2-x 1/2+y,1/2+z,-x z,1/2+x,1/2-y 1/2+z,x,1/2-y 1/2+z,1/2+x,-y x,1/2+z,1/2-y 1/2+x,z,1/2-y 1/2+x,1/2+z,-y y,1/2+x,1/2-z 1/2+y,x,1/2-z 1/2+y,1/2+x,-z z,1/2+y,1/2-x 1/2+z,y,1/2-x 1/2+z,1/2+y,-x 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 N1 N3- 8 c 0.25 0.25 0.25 1. 4 d Si1 Si4+ 4 a 0. 0. 0. 1. 0 d F1 F1- 24 e 0.205 0. 0. 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number N3- -3.000 Si4+ 4.000 F1- -1.000