#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/04/1010417.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_1010417 loop_ _publ_author_name 'Ketelaar, J A A' _publ_section_title ; Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium ; _journal_coden_ASTM NATUAS _journal_name_full 'Nature (London)' _journal_page_first 303 _journal_page_last 303 _journal_volume 128 _journal_year 1931 _chemical_formula_structural 'Rh F3' _chemical_formula_sum 'F3 Rh' _chemical_name_systematic 'Rhodium(III) fluoride' _space_group_IT_number 150 _symmetry_cell_setting trigonal _symmetry_Int_Tables_number 150 _symmetry_space_group_name_Hall 'P 3 2"' _symmetry_space_group_name_H-M 'P 3 2 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 4.88 _cell_length_b 4.88 _cell_length_c 6.81 _cell_volume 140.4 _cod_database_code 1010417 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z y-x,-x,z y,x,-z -x,y-x,-z x-y,-y,-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 Rh1 Rh3+ 1 a 0. 0. 0. 1. 0 d Rh2 Rh3+ 2 d 0.3333 0.6667 0.667 1. 0 d F1 F1- 3 f 0.667 0.667 0.5 1. 0 d F2 F1- 6 g 0.167 0.833 0.167 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Rh3+ 3.000 F1- -1.000