#------------------------------------------------------------------------------ #$Date: 2015-09-08 22:52:51 +0300 (Tue, 08 Sep 2015) $ #$Revision: 155341 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/02/1530270.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_1530270 loop_ _publ_author_name 'Lefebvre, D.' 'Kahn, A.' 'Thery, J.' _publ_section_title ; Substituted lanthanum hexagallates as epitaxial growth substrates ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 1039 _journal_page_last 1045 _journal_volume 22 _journal_year 1987 _chemical_formula_sum 'Ga10.5 In0.5 La0.96 Mn O19' _chemical_name_systematic 'La0.96 Mn In0.5 Ga10.5 O19' _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 5.865 _cell_length_b 5.865 _cell_length_c 22.99 _cell_volume 684.866 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Lefebvre_MRBUAC_1987_1418.cif _cod_data_source_block Ga10.5In0.5La0.96Mn1O19 _cod_chemical_formula_sum_orig 'Ga10.5 In0.5 La0.96 Mn1 O19' _cod_database_code 1530270 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -y,-x,-z+1/2 x-y,-y,-z x,x-y,-z+1/2 y,x,-z -x+y,y,-z+1/2 -x,-x+y,-z -x,-y,-z -x+y,-x,-z-1/2 y,-x+y,-z x,y,-z-1/2 x-y,x,-z -y,x-y,-z-1/2 y,x,z-1/2 -x+y,y,z -x,-x+y,z-1/2 -y,-x,z x-y,-y,z-1/2 x,x-y,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 O2 O-2 0.6667 0.3333 0.0574 1 0.0 Ga2 Ga+3 0 0 0.24 0.5 0.0 Mn1 Mn+2 0.3333 -0.3333 0.0261 0.5 0.0 Ga1 Ga+3 0 0 0 1 0.0 La1 La+3 0.6667 -0.6667 0.25 0.6 0.0 O3 O-2 0.186 -0.186 0.25 1 0.0 Ga5 Ga+3 -0.1674 0.1674 0.1084 1 0.0 La2 La+3 0.7041 -0.7041 0.25 0.12 0.0 O5 O-2 0.5076 -0.5076 0.1524 1 0.0 In1 In+3 0.3333 -0.3333 0.1877 0.25 0.0 Ga4 Ga+3 0.3333 -0.3333 0.1877 0.75 0.0 O4 O-2 0.1516 -0.1516 0.0541 1 0.0 Ga3 Ga+3 0.3333 -0.3333 0.0261 0.5 0.0 O1 O-2 0 0 0.1512 1 0.0