#------------------------------------------------------------------------------ #$Date: 2015-07-13 03:00:13 +0300 (Mon, 13 Jul 2015) $ #$Revision: 148777 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/34/37/4343763.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_4343763 loop_ _publ_author_name 'Devaney, K.O.' 'Freedman, M.R.' 'Atwood, J.L.' 'McPherson, G.L.' _publ_section_title ; Electron paramagnetic resonance studies of manganese(II) and nickel(II) in three structural phases of rubidium magnesium chloride and the crystal structure of 6H-rubidium magnesium chloride ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 140 _journal_page_last 145 _journal_volume 20 _journal_year 1981 _chemical_formula_sum 'Cl3 Mg Rb' _chemical_name_systematic 'Rb Mg Cl3' _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 6 _cell_length_a 7.095 _cell_length_b 7.095 _cell_length_c 17.578 _cell_volume 766.311 _citation_journal_id_ASTM INOCAJ _cod_data_source_file Devaney_INOCAJ_1981_1352.cif _cod_data_source_block Cl3Mg1Rb1 _cod_original_cell_volume 766.3106 _cod_chemical_formula_sum_orig 'Cl3 Mg1 Rb1' _cod_database_code 4343763 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -y,-x,-z+1/2 x-y,-y,-z x,x-y,-z+1/2 y,x,-z -x+y,y,-z+1/2 -x,-x+y,-z -x,-y,-z -x+y,-x,-z-1/2 y,-x+y,-z x,y,-z-1/2 x-y,x,-z -y,x-y,-z-1/2 y,x,z-1/2 -x+y,y,z -x,-x+y,z-1/2 -y,-x,z x-y,-y,z-1/2 x,x-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 Mg1 Mg+2 0 0 0 1 0.0 Cl1 Cl-1 0.509 0.018 0.25 1 0.0 Cl2 Cl-1 0.8339 0.6678 0.0816 1 0.0 Rb2 Rb+1 0.3333 0.6667 0.0896 1 0.0 Mg2 Mg+2 0.3333 0.6667 0.8403 1 0.0 Rb1 Rb+1 0 0 0.25 1 0.0