#------------------------------------------------------------------------------ #$Date: 2019-05-13 12:34:43 +0300 (Mon, 13 May 2019) $ #$Revision: 215055 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/10/1551024.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_1551024 loop_ _publ_author_name 'Hinatsu, Y.' 'Doi, Y.' _publ_section_title ; Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure ; _journal_name_full 'Journal of the Ceramic Society of Japan' _journal_page_first 273 _journal_page_last 278 _journal_volume 127 _journal_year 2019 _chemical_formula_sum 'Eu0.9 O7 Sm2.1 Ta' _chemical_name_common '(Sm0.7Eu0.3)3TaO7 at 1100 K' _space_group_IT_number 62 _space_group_name_H-M_alt 'P n m a' _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.6425(3) _cell_length_b 10.8825(5) _cell_length_c 7.5571(4) _cell_volume 628.52(5) _diffrn_ambient_temperature 1100 _cod_data_source_file Sm2EuTaO7-1100K.cif _cod_data_source_block SmEuTaO7-1100K _cod_original_formula_sum 'Sm2.1 Eu0.9 Ta O7' _cod_database_code 1551024 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' '-x+1/2, -y, z+1/2' 'x+1/2, y, -z+1/2' '-x, y+1/2, -z' 'x, -y+1/2, z' 'x+1/2, -y+1/2, -z+1/2' '-x+1/2, y+1/2, z+1/2' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_B_iso_or_equiv _atom_site_type_symbol SmEu1 0.7000 0.9964(25) 0.250000 0.7399(15) Biso 0.81(7) Sm SmEu1 0.3000 0.9964(25) 0.250000 0.7399(15) Biso 0.81 Eu SmEu2 0.7000 0.2502(21) 0.4807(3) 0.4600(4) Biso 0.81 Sm SmEu2 0.3000 0.2502(21) 0.4807(4) 0.4600(4) Biso 0.81 Eu Ta 1.0 0.0038(23) 0.250000 0.2498(13) Biso 0.30(11) Ta O1 1.0 0.952(6) 0.389(4) 0.427(6) Biso 1.30(30) O O2 1.0 0.977(6) 0.852(4) 0.956(5) Biso 1.30 O O3 1.0 0.259(11) 0.389(3) 0.728(4) Biso 1.30 O O4 1.0 0.196(6) 0.250000 0.328(5) Biso 1.30 O