#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/02/1530269.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_1530269 loop_ _publ_author_name 'Lefebvre, D.' 'Thery, J.' 'Kahn, A.' _publ_section_title ; Solid State Chemistry.- Investigation of lanthanum gallates La M Ga11 O19 (M = Mg2+, Zn2+, Cd2+) with Magnetoplumbite-like structure ; _journal_name_full ; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993) ; _journal_page_first 263 _journal_page_last 268 _journal_volume 300 _journal_year 1985 _chemical_formula_sum 'Ga10.95 La0.83 Mg O19' _chemical_name_systematic 'La0.83 Mg Ga10.95 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 5.806 _cell_length_b 5.806 _cell_length_c 22.727 _cell_volume 663.478 _citation_journal_id_ASTM CRAMED _cod_data_source_file Lefebvre_CRAMED_1985_1165.cif _cod_data_source_block Ga10.95La0.83Mg1O19 _cod_original_cell_volume 663.4785 _cod_original_formula_sum 'Ga10.95 La0.83 Mg1 O19' _cod_database_code 1530269 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 La2 La+3 0.7234 -0.7234 0.25 0.02 0.0 Ga2 Ga+3 0 0 0.2414 0.475 0.0 O4 O-2 0.152 -0.152 0.053 1 0.0 O3 O-2 0.182 -0.182 0.25 1 0.0 Ga4 Ga+3 0.3333 -0.3333 0.1884 1 0.0 Ga1 Ga+3 0 0 0 0.75 0.0 Mg2 Mg+2 0.3333 -0.3333 0.0265 0.375 0.0 Ga3 Ga+3 0.3333 -0.3333 0.0265 0.625 0.0 O1 O-2 0 0 0.1499 1 0.0 Ga5 Ga+3 -0.1644 0.1644 0.1084 1 0.0 O2 O-2 0.6667 -0.6667 0.0576 1 0.0 Mg1 Mg+2 0 0 0 0.25 0.0 O5 O-2 0.505 -0.505 0.1508 1 0.0 La1 La+3 0.6667 -0.6667 0.25 0.77 0.0