#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1008150.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_1008150 _chemical_name_systematic 'Osmium(V) fluoride' _chemical_formula_structural 'Os F5' _chemical_formula_sum 'F5 Os' _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 5.403 _cell_length_b 9.866 _cell_length_c 12.336 _cell_angle_alpha 90 _cell_angle_beta 99.13 _cell_angle_gamma 90 _cell_volume 649.3 _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 Os5+ 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 Os1 Os5+ 4 e -0.002 0.255 0.015 1. 0 d Os2 Os5+ 4 e 0.309 0.026 0.201 1. 0 d F1 F1- 4 e 0.167(1) 0.080(1) 0.059(1) 1. 0 d F2 F1- 4 e 0.094(1) 0.320(1) 0.131(1) 1. 0 d F3 F1- 4 e 0.417(1) -0.066(1) 0.332(1) 1. 0 d F4 F1- 4 e 0.480(1) 0.179(1) 0.244(1) 1. 0 d F5 F1- 4 e -0.161(1) 0.422(1) -0.053(1) 1. 0 d F6 F1- 4 e -0.060(1) 0.175(1) -0.151(1) 1. 0 d F7 F1- 4 e -0.311(1) 0.174(1) 0.042(1) 1. 0 d F8 F1- 4 e 0.558(1) -0.069(1) 0.152(1) 1. 0 d F9 F1- 4 e 0.007(1) 0.068(1) 0.248(1) 1. 0 d F10 F1- 4 e 0.310(1) 0.325(1) -0.050(1) 1. 0 d _refine_ls_R_factor_all 0.065 _cod_database_code 1008150