#------------------------------------------------------------------------------ #$Date: 2015-04-24 16:21:38 +0300 (Fri, 24 Apr 2015) $ #$Revision: 135353 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/77/1507759.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_1507759 loop_ _publ_author_name 'Bizot, D.' 'Chassaing, J.' 'Pannetier, J.' 'Leblanc, M.' 'Le Bail, A.' 'Ferey, G.' _publ_section_title ; Fluorocomplexes of niobium IV - Part V* the magnetic structure of MnNbF6 ; _journal_issue 1 _journal_name_full 'Solid State Communications' _journal_page_first 71 _journal_page_last 74 _journal_paper_doi 10.1016/0038-1098(86)90890-2 _journal_volume 58 _journal_year 1986 _chemical_formula_sum 'F6 Mn Nb' _space_group_IT_number 148 _symmetry_cell_setting hexagonal _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 120. _cell_formula_units_Z 3 _cell_length_a 5.385(1) _cell_length_b 5.385(1) _cell_length_c 14.399(1) _cell_measurement_temperature 4.2 _cell_volume 361.60(10) _diffrn_ambient_temperature 4.2 _diffrn_radiation_source neutron _diffrn_radiation_wavelength 1.909 _cod_data_source_file MnNbF6.cif _cod_data_source_block MnNbF6 _cod_cif_authors_sg_H-M 'R -3' _cod_database_code 1507759 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z -x,-y,-z y,-x+y,-z x-y,x,-z x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_B_iso_or_equiv Mn1 0. 0. 0.5 0.39(13) Nb1 0. 0. 0. 0.53(9) F1 0.2618(3) 0.3201(4) 0.0809(3) 0.29(5)