#------------------------------------------------------------------------------ #$Date: 2013-05-03 00:06:00 +0300 (Fri, 03 May 2013) $ #$Revision: 85033 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/20/94/7209489.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_7209489 loop_ _publ_author_name 'Utzolino, A.' 'Bluhm, K.' _publ_section_title ; Die Synthese und Kristallstruktur von: Ba2 Mn (B3 O6)2 und Ba2 Co (B3 O6)2 ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) ; _journal_page_first 907 _journal_page_last 911 _journal_volume 51 _journal_year 1996 _chemical_formula_sum 'B6 Ba2 Co O12' _chemical_name_systematic 'Ba2 Co (B3 O6)2' _space_group_IT_number 148 _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 7.072 _cell_length_b 7.072 _cell_length_c 16.738 _cell_volume 724.968 _citation_journal_id_ASTM ZNBSEN _[local]_cod_data_source_file boron4-x_213.cif _[local]_cod_data_source_block B6Ba2Co1O12 _[local]_cod_chemical_formula_sum_orig 'B6 Ba2 Co1 O12' _cod_original_cell_volume 724.9678 _cod_database_code 7209489 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_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O1 O-2 0.5489 0.7182 0.2559 1 0.0 Co1 Co+2 0 0 0 1 0.0 B1 B+3 0.3875 0.4967 0.255 1 0.0 O2 O-2 0.4299 0.3344 0.2532 1 0.0 Ba1 Ba+2 0 0 0.21096 1 0.0