#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/11/1521183.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_1521183 loop_ _publ_author_name 'Hoppe, R.' 'Fischer, D.' 'Schneider, J.' _publ_section_title ; Zur Kenntnis von Oxyden A (M O4): Ueber Li Mn O4, K Mn O4, Rb Mn O4, Cs Mn O4 sowie Rb I O4 und Cs I O4. (-Was heisst eigentlich "Die Kristallstruktur von..."?-) ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1135 _journal_page_last 1142 _journal_volume 625 _journal_year 1999 _chemical_formula_sum 'I O4 Rb' _chemical_name_systematic 'Rb (I O4)' _space_group_IT_number 88 _symmetry_space_group_name_Hall '-I 4ad' _symmetry_space_group_name_H-M 'I 41/a :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.9199 _cell_length_b 5.9199 _cell_length_c 13.042 _cell_volume 457.060 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Hoppe_ZAACAB_1999_787.cif _cod_data_source_block I1O4Rb1 _cod_original_cell_volume 457.0597 _cod_original_formula_sum 'I1 O4 Rb1' _cod_database_code 1521183 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+3/4,x+1/4,z+1/4 -x+1/2,-y,z+1/2 y+3/4,-x+3/4,z+3/4 -x,-y,-z y-3/4,-x-1/4,-z-1/4 x-1/2,y,-z-1/2 -y-3/4,x-3/4,-z-3/4 x+1/2,y+1/2,z+1/2 -y+5/4,x+3/4,z+3/4 -x+1,-y+1/2,z+1 y+5/4,-x+5/4,z+5/4 -x+1/2,-y+1/2,-z+1/2 y-1/4,-x+1/4,-z+1/4 x,y+1/2,-z -y-1/4,x-1/4,-z-1/4 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 I1 I+7 0 0.25 0.625 1 0.0 O1 O-2 0.3796 0.4649 0.7988 1 0.0 Rb1 Rb+1 0 0.25 0.125 1 0.0