#------------------------------------------------------------------------------ #$Date: 2015-09-29 06:53:42 +0100 (Tue, 29 Sep 2015) $ #$Revision: 158963 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/29/1532945.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_1532945 loop_ _publ_author_name 'Josse, M.' 'Dubois, M.' 'El Ghozzi, M.' 'Andre, G.' 'Avignant, D.' 'Guillot, M.' 'Bouree, F.' _publ_section_title ; Neutron diffraction study of the magnetic structures of one-dimensional M2 Tb F6 (M = Li, K, Rb) fluorides: frustration, incommensurability and magnetic interactions ; _journal_name_full 'Journal of Alloys Compd.' _journal_page_first 207 _journal_page_last 212 _journal_volume 374 _journal_year 2004 _chemical_formula_sum 'F6 K2 Tb' _chemical_name_systematic 'K2 (Tb F6)' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 90.502 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.5909 _cell_length_b 11.4135 _cell_length_c 7.1235 _cell_volume 535.846 _citation_journal_id_ASTM JALCEU _cod_data_source_file Josse_JALCEU_2004_1501.cif _cod_data_source_block F6K2Tb1 _cod_original_cell_volume 535.8464 _cod_chemical_formula_sum_orig 'F6 K2 Tb1' _cod_database_code 1532945 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,-y+1/2,z-1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv F3 F-1 0.9559 0.1008 0.5446 1 0.0 Tb1 Tb+4 0 0.0452 0.25 1 0.0 K1 K+1 0.0211 0.3397 0.0039 1 0.0 F1 F-1 0.2942 0.9824 0.2071 1 0.0 F2 F-1 0.1942 0.1921 0.2779 1 0.0