#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/59/1535903.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_1535903 loop_ _publ_author_name 'Itoh, K.' 'Hinasada, A.' 'Matsunaga, H.' 'Nakamura, E.' _publ_section_title ; Disordered structure of Rb2 Zn Cl4 in the normal phase ; _journal_name_full 'Journal of the Physical Society of Japan' _journal_page_first 664 _journal_page_last 670 _journal_volume 52 _journal_year 1983 _chemical_formula_sum 'Cl4 Rb2 Zn' _chemical_name_systematic 'Rb2 (Zn Cl4)' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2n 2a' _symmetry_space_group_name_H-M 'P m c n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.276 _cell_length_b 12.716 _cell_length_c 9.256 _cell_volume 856.380 _citation_journal_id_ASTM JUPSAU _cod_data_source_file Itoh_JUPSAU_1983_678.cif _cod_data_source_block Cl4Rb2Zn1 _cod_original_cell_volume 856.38 _cod_original_sg_symbol_Hall '-P 2ac 2n (y,z,x)' _cod_original_formula_sum 'Cl4 Rb2 Zn1' _cod_database_code 1535903 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x+1/2,-y+1/2,z+1/2 x+1/2,-y,-z -x,-y,-z x,-y-1/2,z-1/2 x-1/2,y-1/2,-z-1/2 -x-1/2,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 Cl2 Cl-1 0.2205 0.5857 0.1821 0.5 0.0 Cl3 Cl-1 0.0173 0.3405 0.1866 0.5 0.0 Rb1 Rb+1 0.25 0.6808 0.5151 1 0.0 Cl1 Cl-1 0.2826 0.4176 0.5159 0.5 0.0 Rb2 Rb+1 0.25 0.4066 0.868 1 0.0 Zn1 Zn+2 0.25 0.4225 0.2752 1 0.0 Cl4 Cl-1 0.5128 0.3435 0.1825 0.5 0.0