#------------------------------------------------------------------------------ #$Date: 2016-01-01 12:23:21 +0200 (Fri, 01 Jan 2016) $ #$Revision: 171895 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/07/1540766.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_1540766 loop_ _publ_author_name 'Zhou, O.' 'Cox, D.E.' _publ_section_title ; Structures of C60 intercalation compounds ; _journal_name_full 'Journal of Physics and Chemistry of Solids' _journal_page_first 1373 _journal_page_last 1390 _journal_volume 53 _journal_year 1992 _chemical_formula_sum 'C60 Rb6' _chemical_name_systematic 'Rb6 C60' _space_group_IT_number 204 _symmetry_space_group_name_Hall '-I 2 2 3' _symmetry_space_group_name_H-M 'I m -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 11.54 _cell_length_b 11.54 _cell_length_c 11.54 _cell_volume 1536.800 _citation_journal_id_ASTM JPCSAW _cod_data_source_file Zhou_JPCSAW_1992_1780.cif _cod_data_source_block C60Rb6 _cod_original_cell_volume 1536.8 _cod_database_code 1540766 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z x,-y,-z -x,y,-z z,x,y -z,-x,y z,-x,-y -z,x,-y y,z,x y,-z,-x -y,z,-x -y,-z,x -x,-y,-z x,y,-z -x,y,z x,-y,z -z,-x,-y z,x,-y -z,x,y z,-x,y -y,-z,-x -y,z,x y,-z,x y,z,-x x+1/2,y+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 z+1/2,x+1/2,y+1/2 -z+1/2,-x+1/2,y+1/2 z+1/2,-x+1/2,-y+1/2 -z+1/2,x+1/2,-y+1/2 y+1/2,z+1/2,x+1/2 y+1/2,-z+1/2,-x+1/2 -y+1/2,z+1/2,-x+1/2 -y+1/2,-z+1/2,x+1/2 -x+1/2,-y+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 -z+1/2,-x+1/2,-y+1/2 z+1/2,x+1/2,-y+1/2 -z+1/2,x+1/2,y+1/2 z+1/2,-x+1/2,y+1/2 -y+1/2,-z+1/2,-x+1/2 -y+1/2,z+1/2,x+1/2 y+1/2,-z+1/2,x+1/2 y+1/2,z+1/2,-x+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 C1 C 0.0624 0 0.303 1 0.0 C3 C 0.0624 0.2019 0.2258 1 0.0 C2 C 0.1247 0.101 0.2644 1 0.0 Rb1 Rb 0 0.5 0.2822 1 0.0