#------------------------------------------------------------------------------ #$Date: 2015-10-01 14:13:46 +0300 (Thu, 01 Oct 2015) $ #$Revision: 159128 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/30/1533045.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_1533045 loop_ _publ_author_name 'Reaney, I.M.' 'Moussa, S.M.' 'Wise, P.L.' 'Qazi, I.' 'Miller, C.A.' 'Cannell, D.S.' 'Noailles, L.D.' 'Price, T.J.' 'Bieringer, M.' 'Iddles, D.M.' 'Rosseinsky, M.J.' 'Ibberson, R.M.' _publ_section_title ; Ordering and quality factor in 0.95(Ba Zn1/3 Ta2/3 O3) - 0.055(Sr Ga1/2 Ta1/2 O3) production resonators ; _journal_name_full 'Journal of the European Ceramic Society' _journal_page_first 3021 _journal_page_last 3034 _journal_volume 23 _journal_year 2003 _chemical_formula_sum 'Ba0.966667 O3 Ta0.633333 Zn0.363333' _chemical_name_systematic 'Ba (Zn0.333 Ta0.667 O3)' _space_group_IT_number 164 _symmetry_space_group_name_Hall '-P 3 2"' _symmetry_space_group_name_H-M 'P -3 m 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 5.7811 _cell_length_b 5.7811 _cell_length_c 7.0823 _cell_volume 204.987 _citation_journal_id_ASTM JECSER _cod_data_source_file Reaney_JECSER_2003_760.cif _cod_data_source_block Ba0.966667O3Ta0.633333Zn0.363333 _cod_original_cell_volume 204.9868 _cod_database_code 1533045 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z -x,-x+y,-z x-y,-y,-z -x,-y,-z y,-x+y,-z x-y,x,-z -y,-x,z x,x-y,z -x+y,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 O1 O-2 0.1687 0.8313 0.3356 1 0.0 Ba1 Ba+2 0 0 0 1 0.0 Zn1 Zn+2 0 0 0.5 1.09 0.0 Ba2 Ba+2 0.3333 0.6667 0.6682 0.95 0.0 Ta1 Ta+5 0.3333 0.6667 0.1575 0.95 0.0 O2 O-2 0.5 0 0 1 0.0