#------------------------------------------------------------------------------ #$Date: 2020-11-09 10:11:08 +0000 (Mon, 09 Nov 2020) $ #$Revision: 259052 $ #$URL: svn://www.crystallography.net/cod/cif/1/01/00/1010043.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_1010043 loop_ _publ_author_name 'Ott, H.' _publ_section_title ; Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Pr\"azisionsmessungen einiger Alkalihalogenide ; _journal_coden_ASTM ZEKGAX _journal_name_full ; Zeitschrift f\"ur Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie ; _journal_page_first 222 _journal_page_last 230 _journal_paper_doi 10.1524/zkri.1926.63.1.222 _journal_volume 63 _journal_year 1926 _chemical_formula_structural 'Sn I4' _chemical_formula_sum 'I4 Sn' _chemical_name_systematic 'Tin(IV) tetraiodide' _space_group_IT_number 195 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 195 _symmetry_space_group_name_Hall 'P 2 2 3' _symmetry_space_group_name_H-M 'P 2 3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 6.12(5) _cell_length_b 6.12(5) _cell_length_c 6.12(5) _cell_volume 229.2 _cod_depositor_comments ; Updated bibliographic information. Antanas Vaitkus, 2020-11-09 ; _cod_database_code 1010043 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,z,x z,x,y x,-y,-z y,-z,-x z,-x,-y -x,y,-z -y,z,-x -z,x,-y -x,-y,z -y,-z,x -z,-x,y 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 Sn1 Sn4+ 1 a 0. 0. 0. 1. 0 d I1 I1- 4 e 0.25 0.25 0.25 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Sn4+ 4.000 I1- -1.000