#------------------------------------------------------------------------------ #$Date: 2015-07-10 15:11:59 +0300 (Fri, 10 Jul 2015) $ #$Revision: 142258 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/20/1522039.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_1522039 loop_ _publ_author_name 'Toda, K.' 'Takakuwa, S.' 'Teranishi, T.' 'Sakai, N.' 'Sato, M.' _publ_section_title ; New layered perovskite compound synthesized by the soft chemistry: K Ca2 Ta3 O10 ; _journal_name_full 'Key Engineering Materials' _journal_page_first 231 _journal_page_last 234 _journal_volume 169 _journal_year 1999 _chemical_formula_sum 'Ca2 K O10 Ta3' _chemical_name_systematic 'K Ca2 (Ta3 O10)' _space_group_IT_number 21 _symmetry_space_group_name_Hall 'C 2 2' _symmetry_space_group_name_H-M 'C 2 2 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.8657 _cell_length_b 29.777 _cell_length_c 3.852 _cell_volume 443.400 _citation_journal_id_ASTM KEMAEY _cod_data_source_file Toda_KEMAEY_1999_429.cif _cod_data_source_block Ca2K1O10Ta3 _cod_original_cell_volume 443.3997 _cod_chemical_formula_sum_orig 'Ca2 K1 O10 Ta3' _cod_database_code 1522039 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z x,-y,-z -x,y,-z x+1/2,y+1/2,z -x+1/2,-y+1/2,z x+1/2,-y+1/2,-z -x+1/2,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 Ta1 Ta+5 0.5 0 0.5 1 0.0 K1 K+1 0 0.2439 0 0.5 0.0 O6 O-2 0 0.5 0 1 0.0 Ca1 Ca+2 0 0.0738 0 1 0.0 O1 O-2 0 0 0.5 1 0.0 O5 O-2 0 0.437 0.5 1 0.0 O4 O-2 0 0.368 0 1 0.0 O3 O-2 0 0.301 0.5 1 0.0 Ta2 Ta+5 0 0.35734 0.5 1 0.0 O2 O-2 0 0.1318 0.5 1 0.0