#------------------------------------------------------------------------------ #$Date: 2015-09-06 22:51:59 +0300 (Sun, 06 Sep 2015) $ #$Revision: 155089 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/01/1530112.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_1530112 loop_ _publ_author_name 'Hutton, J.' 'Nelmes, R.J.' _publ_section_title ; High-resolution studies of cubic Perovskites by elastic neutron diffraction II - Sr Ti O3, K Mn F3, Rb Ca F3 and Cs Pb Cl3 ; _journal_name_full 'Journal of Physics C' _journal_page_first 1713 _journal_page_last 1736 _journal_volume 14 _journal_year 1981 _chemical_formula_sum 'Ca F3 Rb' _chemical_name_systematic 'Rb Ca F3' _space_group_IT_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 4.445 _cell_length_b 4.445 _cell_length_c 4.445 _cell_volume 87.824 _citation_journal_id_ASTM JPSOAW _cod_data_source_file Hutton_JPSOAW_1981_864.cif _cod_data_source_block Ca1F3Rb1 _cod_original_cell_volume 87.82443 _cod_chemical_formula_sum_orig 'Ca1 F3 Rb1' _cod_database_code 1530112 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z z,x,y -x,z,y -z,-x,y x,-z,y z,-x,-y x,z,-y -z,x,-y -x,-z,-y y,z,x y,-z,-x z,y,-x -y,z,-x -z,-y,-x -y,-z,x z,-y,x -z,y,x -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z -z,-x,-y x,-z,-y z,x,-y -x,z,-y -z,x,y -x,-z,y z,-x,y x,z,y -y,-z,-x -y,z,x -z,-y,x y,-z,x z,y,x y,z,-x -z,y,-x z,-y,-x 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 F1 F-1 0 0.5 0.5 1 0.0 Rb1 Rb+1 0 0 0 1 0.0 Ca1 Ca+2 0.5 0.5 0.5 1 0.0