#------------------------------------------------------------------------------ #$Date: 2015-07-12 17:19:32 +0300 (Sun, 12 Jul 2015) $ #$Revision: 146744 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/57/1525710.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_1525710 loop_ _publ_author_name 'Braden, M.' 'Lauriat, J.P.' 'Reichardt, W.' 'Elkaim, E.' 'Shiryaev, S.' 'Barilo, S.N.' _publ_section_title ; Structural distortion in superconducting Ba1-x Kx Bi O3 ; _journal_name_full 'Physical Review, Serie 3. B - Condensed Matter (18,1978-)' _journal_page_first 6708 _journal_page_last 6715 _journal_volume 62 _journal_year 2000 _chemical_formula_sum 'Ba0.63 Bi K0.37 O3' _chemical_name_systematic '(Ba0.63 K0.37) (Bi O3)' _space_group_IT_number 140 _symmetry_space_group_name_Hall '-I 4 2c' _symmetry_space_group_name_H-M 'I 4/m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.047 _cell_length_b 6.047 _cell_length_c 8.552 _cell_volume 312.714 _citation_journal_id_ASTM PRBMDO _cod_data_source_file Braden_PRBMDO_2000_509.cif _cod_data_source_block Ba0.63Bi1K0.37O3 _cod_original_cell_volume 312.7142 _cod_chemical_formula_sum_orig 'Ba0.63 Bi1 K0.37 O3' _cod_database_code 1525710 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z+1/2 y,x,-z+1/2 -x,y,-z+1/2 -y,-x,-z+1/2 -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z-1/2 -y,-x,z-1/2 x,-y,z-1/2 y,x,z-1/2 x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1 y+1/2,x+1/2,-z+1 -x+1/2,y+1/2,-z+1 -y+1/2,-x+1/2,-z+1 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z -y+1/2,-x+1/2,z x+1/2,-y+1/2,z y+1/2,x+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 Ba1 Ba+2 0 0.5 0.25 0.65 0.0 O2 O-2 0 0 0.25 1 0.0 K1 K+1 0 0.5 0.25 0.35 0.0 O1 O-2 0.26511 0.23489 0 1 0.0 Bi2 Bi+5 0 0 0 0.675 0.0 Bi1 Bi+3 0 0 0 0.325 0.0