#------------------------------------------------------------------------------ #$Date: 2015-10-14 17:57:25 +0300 (Wed, 14 Oct 2015) $ #$Revision: 168739 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/97/1539732.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_1539732 loop_ _publ_author_name 'Fischer, D.' 'Hoppe, R.' _publ_section_title ; Ein Oxomanganat(V) neuen Typs: K11 (Li (O Mn O3)4) ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 106 _journal_page_last 114 _journal_volume 586 _journal_year 1990 _chemical_formula_sum 'K11 Li Mn4 O16' _chemical_name_systematic 'K11 (Li (Mn O4)4)' _space_group_IT_number 121 _symmetry_space_group_name_Hall 'I -4 2' _symmetry_space_group_name_H-M 'I -4 2 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.8718 _cell_length_b 7.8718 _cell_length_c 17.509 _cell_volume 1084.949 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Fischer_ZAACAB_1990_1227.cif _cod_data_source_block K11Li1Mn4O16 _cod_chemical_formula_sum_orig 'K11 Li1 Mn4 O16' _cod_database_code 1539732 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 x+1/2,y+1/2,z+1/2 y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,z+1/2 -y+1/2,x+1/2,-z+1/2 x+1/2,-y+1/2,-z+1/2 -y+1/2,-x+1/2,z+1/2 -x+1/2,y+1/2,-z+1/2 y+1/2,x+1/2,z+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 O3 O-2 0.8021 0.1979 0.2118 1 0.0 O2 O-2 0.647 0.647 0.4433 1 0.0 Mn1 Mn+5 0.2553 0.2553 0.8767 1 0.0 K2 K+1 0 0 0.5 1 0.0 O1 O-2 0.5339 0.7799 0.8857 1 0.0 K3 K+1 0 0 0.2903 1 0.0 K1 K+1 0 0.5 0.75 1 0.0 K4 K+1 0.1949 0.8051 0.8772 1 0.0 K5 K+1 0 0.5 0 1 0.0 Li1 Li+1 0 0 0 1 0.0