#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1008149.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_1008149 _chemical_name_systematic 'Ruthenium(V) fluoride' _chemical_formula_structural 'Ru F5' _chemical_formula_sum 'F5 Ru' _publ_section_title ; Interactions magnetiques intra- et interclusters dans les pentafluorures Ru F~5~ Et Os F~5~ ; loop_ _publ_author_name 'Darriet, J' 'Soubeyroux, J L' 'Touhara, H' 'Tressaud, A' 'Hagenmueller, P' _journal_name_full 'Materials Research Bulletin' _journal_coden_ASTM MRBUAC _journal_volume 17 _journal_year 1982 _journal_page_first 315 _journal_page_last 324 _cell_length_a 5.385 _cell_length_b 9.815 _cell_length_c 12.289 _cell_angle_alpha 90 _cell_angle_beta 99.53 _cell_angle_gamma 90 _cell_volume 640.6 _cell_formula_units_Z 8 _symmetry_space_group_name_H-M 'P 1 21/c 1' _symmetry_Int_Tables_number 14 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,1/2+y,1/2-z' '-x,-y,-z' 'x,1/2-y,1/2+z' loop_ _atom_type_symbol _atom_type_oxidation_number Ru5+ 5.000 F1- -1.000 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 Ru1 Ru5+ 4 e 0.001 0.255 0.002 1. 0 d Ru2 Ru5+ 4 e 0.3 0.0025 0.199 1. 0 d F1 F1- 4 e 0.212(1) 0.080(1) 0.046(1) 1. 0 d F2 F1- 4 e 0.096(1) 0.327(1) 0.127(1) 1. 0 d F3 F1- 4 e 0.396(1) -0.079(1) 0.318(1) 1. 0 d F4 F1- 4 e 0.504(1) 0.170(1) 0.258(1) 1. 0 d F5 F1- 4 e -0.186(1) 0.425(1) -0.049(1) 1. 0 d F6 F1- 4 e -0.101(1) 0.175(1) -0.138(1) 1. 0 d F7 F1- 4 e -0.302(1) 0.175(1) 0.052(1) 1. 0 d F8 F1- 4 e 0.608(1) -0.066(1) 0.154(1) 1. 0 d F9 F1- 4 e 0.011(1) 0.075(1) 0.254(1) 1. 0 d F10 F1- 4 e 0.299(1) 0.322(1) -0.066(1) 1. 0 d _refine_ls_R_factor_all 0.05