#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/13/1011313.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_1011313 loop_ _publ_author_name 'Wagner, G' 'Lippert, L' _publ_section_title ; Ueber polymorphe Umwandlungen bei einfachen Ionengittern. II. Versuche zur Umwandlung: Na Cl vers. Cs Cl - Gitter. ; _journal_coden_ASTM ZPCBAL _journal_name_full ; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie ; _journal_page_first 297 _journal_page_last 303 _journal_volume 33 _journal_year 1936 _chemical_formula_structural 'Rb Cl' _chemical_formula_sum 'Cl Rb' _chemical_name_systematic 'Rubidium chloride - $-alpha' _space_group_IT_number 221 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 221 _symmetry_space_group_name_Hall '-P 4 2 3' _symmetry_space_group_name_H-M 'P m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 3.742 _cell_length_b 3.742 _cell_length_c 3.742 _cell_volume 52.4 _cod_database_code 1011313 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,z,x z,x,y x,z,y y,x,z z,y,x x,-y,-z y,-z,-x z,-x,-y x,-z,-y y,-x,-z z,-y,-x -x,y,-z -y,z,-x -z,x,-y -x,z,-y -y,x,-z -z,y,-x -x,-y,z -y,-z,x -z,-x,y -x,-z,y -y,-x,z -z,-y,x -x,-y,-z -y,-z,-x -z,-x,-y -x,-z,-y -y,-x,-z -z,-y,-x -x,y,z -y,z,x -z,x,y -x,z,y -y,x,z -z,y,x x,-y,z y,-z,x z,-x,y x,-z,y y,-x,z z,-y,x x,y,-z y,z,-x z,x,-y x,z,-y y,x,-z z,y,-x loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Rb1 Rb1+ 1 a 0. 0. 0. 1. 0 d Cl1 Cl1- 1 b 0.5 0.5 0.5 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Rb1+ 1.000 Cl1- -1.000