#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/35/1533544.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_1533544 loop_ _publ_author_name 'Asahi, T.' 'Hasebe, K.' _publ_section_title ; X-ray study of Rb2 Zn Br4 under high pressure ; _journal_name_full 'Journal of the Physical Society of Japan' _journal_page_first 2925 _journal_page_last 2929 _journal_volume 71 _journal_year 2002 _chemical_formula_sum 'Br4 Rb2 Zn' _chemical_name_systematic 'Rb2 (Zn Br4)' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2n' _symmetry_space_group_name_H-M 'P 1 1 21/n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90.42 _cell_formula_units_Z 4 _cell_length_a 7.423 _cell_length_b 13.017 _cell_length_c 9.534 _cell_volume 921.200 _citation_journal_id_ASTM JUPSAU _cod_data_source_file Asahi_JUPSAU_2002_450.cif _cod_data_source_block Br4Rb2Zn1 _cod_original_cell_volume 921.1998 _cod_original_sg_symbol_Hall '-P 2ybc (z,x-z,y)' _cod_original_formula_sum 'Br4 Rb2 Zn1' _cod_database_code 1533544 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y+1/2,z+1/2 -x,-y,-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 Br3 Br-1 0.0123 0.3157 0.3108 1 0.0 Rb1 Rb+1 0.2398 0.104 0.1239 1 0.0 Zn1 Zn+2 0.2542 0.4255 0.2251 1 0.0 Br1 Br-1 0.2636 0.4158 -0.0231 1 0.0 Br2 Br-1 0.1998 0.5887 0.3231 1 0.0 Br4 Br-1 0.526 0.3619 0.3187 1 0.0 Rb2 Rb+1 0.2492 0.8268 0.4852 1 0.0