#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/09/1530904.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_1530904 loop_ _publ_author_name 'Trunov, V.K.' 'Kinzhibalo, L.N.' 'Efremov, V.A.' 'Krongauz, V.G.' _publ_section_title ; On the m' - structure of 'orthotantalates' of the rare earth elements ; _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_page_first 103 _journal_page_last 106 _journal_volume 260 _journal_year 1981 _chemical_formula_sum 'Lu O4 Ta' _chemical_name_systematic 'Lu Ta O4' _space_group_IT_number 13 _symmetry_space_group_name_Hall '-P 2ya' _symmetry_space_group_name_H-M 'P 1 2/a 1' _cell_angle_alpha 90 _cell_angle_beta 96.08 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.24 _cell_length_b 5.424 _cell_length_c 5.062 _cell_volume 143.062 _citation_journal_id_ASTM DANKAS _cod_data_source_file Trunov_DANKAS_1981_1620.cif _cod_data_source_block Lu1O4Ta1 _cod_original_cell_volume 143.0617 _cod_original_sg_symbol_Hall '-P 2yc (z,y,-x)' _cod_chemical_formula_sum_orig 'Lu1 O4 Ta1' _cod_database_code 1530904 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y,-z -x,-y,-z x-1/2,-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 0.0995 0.0844 0.2505 1 0.0 O1 O-2 0.5018 0.433 0.2704 1 0.0 Ta1 Ta+5 0.25 0.3038 0 1 0.0 Lu1 Lu+3 0.25 0.7681 0.5 1 0.0