#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/36/1533637.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_1533637 loop_ _publ_author_name 'Titov, Yu.O.' 'Kapshuk, A.O.' 'Sich, A.M.' 'Markiv, V.Ya.' 'Belyavina, N.M.' 'Slobodyanik, M.S.' _publ_section_title ; Crystal structure of the orthorhombic modification of La Ta O4 ; _journal_name_full 'Dopov. Nats. Akad. Nauk. Ukr.' _journal_page_first 140 _journal_page_last 145 _journal_volume 2003 _journal_year 2003 _chemical_formula_sum 'La O4 Ta' _chemical_name_systematic 'La (Ta O4)' _space_group_IT_number 36 _symmetry_space_group_name_Hall 'C 2c -2' _symmetry_space_group_name_H-M 'C m c 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 3.9313 _cell_length_b 14.793 _cell_length_c 5.618 _cell_volume 326.719 _citation_journal_id_ASTM DNAUFL _cod_data_source_file Titov_DNAUFL_2003_332.cif _cod_data_source_block La1O4Ta1 _cod_original_cell_volume 326.7188 _cod_original_formula_sum 'La1 O4 Ta1' _cod_database_code 1533637 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 -x,y,z x,-y,z+1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z+1/2 -x+1/2,y+1/2,z x+1/2,-y+1/2,z+1/2 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 Ta1 Ta+5 0 0.4145 0.195 1 0.0 O2 O-2 0 0.331 0.871 1 0.0 O1 O-2 0 0.304 0.408 1 0.0 O4 O-2 0 0.915 0.25 1 0.0 O3 O-2 0 0.47 0.532 1 0.0 La1 La+3 0 0.1699 0.157 1 0.0