#------------------------------------------------------------------------------ #$Date: 2015-09-19 00:48:38 +0300 (Sat, 19 Sep 2015) $ #$Revision: 158086 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/23/1532380.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_1532380 loop_ _publ_author_name 'Xu, Y.-Y.' 'Chen, Y.-J.' 'Huang, Y.-D.' 'Luo, Z.-D.' 'Chen, J.-T.' _publ_section_title ; Growth and crystal structure of Yb Al3 (B O3)4 ; _journal_name_full 'Jiegon Huaxue' _journal_page_first 402 _journal_page_last 404 _journal_volume 21 _journal_year 2002 _chemical_formula_sum 'Al3 B4 O12 Yb' _chemical_name_systematic 'Yb Al3 (B O3)4' _space_group_IT_number 155 _symmetry_space_group_name_Hall 'R 3 2"' _symmetry_space_group_name_H-M 'R 3 2 :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 9.251 _cell_length_b 9.251 _cell_length_c 7.189 _cell_volume 532.815 _citation_journal_id_ASTM JHUADF _cod_data_source_file Xu_JHUADF_2002_1711.cif _cod_data_source_block Al3B4O12Yb1 _cod_original_cell_volume 532.8151 _cod_chemical_formula_sum_orig 'Al3 B4 O12 Yb1' _cod_database_code 1532380 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z -x,-x+y,-z x-y,-y,-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 y+2/3,x+1/3,-z+1/3 -x+2/3,-x+y+1/3,-z+1/3 x-y+2/3,-y+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 y+1/3,x+2/3,-z+2/3 -x+1/3,-x+y+2/3,-z+2/3 x-y+1/3,-y+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 Yb1 Yb+3 0 0 0 1 0.0 O2 O-2 0 0.1496 0.5 1 0.0 O3 O-2 0 0.4086 0.5 1 0.0 B2 B+3 0.2232 0.3333 0.8333 1 0.0 O1 O-2 0.2162 0.1827 0.814 1 0.0 B1 B+3 0 0 0.5 1 0.0 Al1 Al+3 0.1109 0.3333 0.3333 1 0.0