#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1010440.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_1010440 _chemical_name_systematic 'Silver manganate(VII)' _chemical_formula_structural 'Ag Mn O4' _chemical_formula_sum 'Ag Mn O4' _publ_section_title ; Die Struktur des Silberpermanganats Ag Mn O~4~ ; loop_ _publ_author_name 'Sasvari, K' _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_coden_ASTM ZEKGAX _journal_volume 99 _journal_year 1938 _journal_page_first 9 _journal_page_last 15 _cell_length_a 5.665 _cell_length_b 8.27 _cell_length_c 7.127 _cell_angle_alpha 90 _cell_angle_beta 92 _cell_angle_gamma 90 _cell_volume 333.7 _cell_formula_units_Z 4 _exptl_crystal_density_meas 4.49 _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_Int_Tables_number 14 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2+y,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number Ag1+ 1.000 Mn7+ 7.000 O2- -2.000 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 Ag1 Ag1+ 4 e 0.25 0.31 0.34 1. 0 d Mn1 Mn7+ 4 e 0.25 -0.03 -0.31 1. 0 d O1 O2- 4 e 0.25 -0.103 0.456 1. 0 d O2 O2- 4 e 0.25 0.175 0.605 1. 0 d O3 O2- 4 e 0.02 -0.068 0.75 1. 0 d O4 O2- 4 e 0.48 -0.068 0.75 1. 0 d _cod_database_code 1010440