#------------------------------------------------------------------------------ #$Date: 2013-05-03 00:43:06 +0300 (Fri, 03 May 2013) $ #$Revision: 85247 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/17/1511738.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_1511738 loop_ _publ_author_name 'Wang, G.-F.' 'Pan, S.-K.' 'Huang, Z.-X.' _publ_section_title ; Synthesis and structure of Ba3 La2 (B O3)4 crystal ; _journal_name_full 'Jiegon Huaxue' _journal_page_first 382 _journal_page_last 384 _journal_volume 21 _journal_year 2002 _chemical_formula_sum 'B4 Ba3 La2 O12' _chemical_name_systematic 'Ba3 La2 (B O3)4' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.731 _cell_length_b 17.043 _cell_length_c 9.019 _cell_volume 1188.338 _citation_journal_id_ASTM JHUADF _[local]_cod_data_source_file boron4-x_7.cif _[local]_cod_data_source_block B4Ba3La2O12 _cod_database_code 1511738 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 x,-y-1/2,z 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 B1 B+3 0.1751 0.457 0.4529 1 0.0 B3 B+3 0.2863 0.25 0.8564 1 0.0 O6 O-2 0.2442 0.1825 0.7868 1 0.0 O4 O-2 0.457 0.3208 0.4242 1 0.0 Ba2 Ba+2 0.1875 0.25 0.5334 1 0.0 O5 O-2 0.6164 0.25 0.2421 1 0.0 O7 O-2 0.363 0.25 0.9897 1 0.0 O3 O-2 0.1038 0.457 0.3122 1 0.0 Ba1 Ba+2 0.3167 0.3742 0.1511 1 0.0 B2 B+3 0.511 0.25 0.368 1 0.0 O1 O-2 0.2959 0.5114 0.4884 1 0.0 La1 La+3 0.4793 0.4165 0.678 1 0.0 O2 O-2 0.1247 0.4 0.5441 1 0.0