#------------------------------------------------------------------------------ #$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532768.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_1532768 loop_ _publ_author_name 'Wong-Ng, W.' 'Kaduk, J.A.' 'Dillingham, J.' _publ_section_title ; Crystal structures and reference diffraction patterns of Ba Sr R4 O9 ; _journal_name_full 'Powder Diffraction' _journal_page_first 202 _journal_page_last 209 _journal_volume 17 _journal_year 2002 _chemical_formula_sum 'Ba O8 Sr Y4' _chemical_name_systematic 'Ba Sr Y4 O8' _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 2 _cell_length_a 10.2434 _cell_length_b 3.43107 _cell_length_c 12.0221 _cell_volume 422.527 _citation_journal_id_ASTM PODIE2 _cod_data_source_file Wong-Ng_PODIE2_2002_1.cif _cod_data_source_block Ba1O8Sr1Y4 _cod_original_cell_volume 422.5266 _cod_original_formula_sum 'Ba1 O8 Sr1 Y4' _cod_database_code 1532768 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 O1 O-2 0.2111 0.25 0.1693 1 0.0 O2 O-2 0.1226 0.25 0.4813 1 0.0 Y1 Y+3 0.4259 0.25 0.6118 1 0.0 Sr1 Sr+2 0.7527 0.25 0.6486 0.5 0.0 Ba1 Ba+2 0.7527 0.25 0.6486 0.5 0.0 O3 O-2 0.5175 0.25 0.7827 1 0.0 O4 O-2 0.4235 0.25 0.422 1 0.0 Y2 Y+3 0.4217 0.25 0.1094 1 0.0