#------------------------------------------------------------------------------ #$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: svn://www.crystallography.net/cod/cif/1/01/03/1010319.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_1010319 loop_ _publ_author_name 'Powell, H M' 'Brewer, F M' _publ_section_title 'The Structure of Germanous Iodide' _journal_coden_ASTM JCSOA9 _journal_name_full 'Journal of the Chemical Society' _journal_page_first 197 _journal_page_last 198 _journal_volume 1938 _journal_year 1938 _chemical_formula_structural 'Ge I2' _chemical_formula_sum 'Ge I2' _chemical_name_systematic 'Germanium(II) iodide' _space_group_IT_number 174 _symmetry_cell_setting hexagonal _symmetry_Int_Tables_number 174 _symmetry_space_group_name_Hall 'P -6' _symmetry_space_group_name_H-M 'P -6' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _cell_length_a 4.13 _cell_length_b 4.13 _cell_length_c 6.69 _cell_volume 98.8 _cod_database_code 1010319 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z y-x,-x,z x,y,-z -y,x-y,-z y-x,-x,-z 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 Ge1 Ge2+ 1 a 0. 0. 0. 1. 0 d I1 I1- 2 h 0.3333 0.6667 0.25 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Ge2+ 2.000 I1- -1.000