#------------------------------------------------------------------------------ #$Date: 2015-07-13 22:39:03 +0300 (Mon, 13 Jul 2015) $ #$Revision: 151034 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/85/1528592.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_1528592 loop_ _publ_author_name 'Huq, A.' 'Mitchell, J.F.' 'Radaelli, P.G.' 'Zheng, H.' 'Chapon, L.C.' 'Stephens, P.W.' 'Knight, K.S.' _publ_section_title ; Structural and magnetic properties of the Kagome antiferromagnet Yb Ba Co4 O7 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 1136 _journal_page_last 1145 _journal_volume 179 _journal_year 2006 _chemical_formula_sum 'Ba Co4 O6.95 Yb' _chemical_name_systematic 'Yb Ba Co4 O6.95' _space_group_IT_number 159 _symmetry_space_group_name_Hall 'P 3 -2c' _symmetry_space_group_name_H-M 'P 3 1 c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 6.26539 _cell_length_b 6.26539 _cell_length_c 10.22812 _cell_volume 347.714 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Huq_JSSCBI_2006_1009.cif _cod_data_source_block Ba1Co4O6.95Yb1 _cod_original_cell_volume 347.7144 _cod_chemical_formula_sum_orig 'Ba1 Co4 O6.95 Yb1' _cod_database_code 1528592 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,z+1/2 -x,-x+y,z+1/2 x-y,-y,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 Co2 Co+2 0.1575 0.815 0.6859 1 0.0 Co1 Co+2 0 0 0.4387 1 0.0 Ba1 Ba+2 0.6667 0.3333 0.5 1 0.0 O3 O-2 0.1157 0.781 0.5005 1 0.0 Yb1 Yb+3 0.6667 0.3333 0.8766 1 0.0 O2 O-2 0 0 0.2444 1 0.0 O1 O-2 0.5149 0.5134 0.7489 1 0.0