#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1008126.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_1008126 _chemical_name_systematic 'Strontium tetraoxomanganate(IV) - $-beta' _chemical_formula_structural 'Sr2 Mn O4' _chemical_formula_sum 'Mn O4 Sr2' _publ_section_title ; Bidimensional Magnetic Properties of $-beta- Sr~2~ Mn O~4~ ; loop_ _publ_author_name 'Bouloux, J C' 'Soubeyroux, J L' 'le=Flem, G' 'Hagenmueller, P' _journal_name_full 'Journal of Solid State Chemistry' _journal_coden_ASTM JSSCBI _journal_volume 38 _journal_year 1981 _journal_page_first 34 _journal_page_last 39 _cell_length_a 3.787 _cell_length_b 3.787 _cell_length_c 12.496 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 179.2 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'I 4/m m m' _symmetry_Int_Tables_number 139 _symmetry_cell_setting tetragonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,z' '-x,y,z' 'x,-y,z' '-y,x,z' 'y,-x,z' 'y,x,z' '-y,-x,z' '-x,-y,-z' 'x,y,-z' 'x,-y,-z' '-x,y,-z' 'y,-x,-z' '-y,x,-z' '-y,-x,-z' 'y,x,-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+z' '1/2-y,1/2+x,1/2+z' '1/2+y,1/2-x,1/2+z' '1/2+y,1/2+x,1/2+z' '1/2-y,1/2-x,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-z' '1/2+y,1/2-x,1/2-z' '1/2-y,1/2+x,1/2-z' '1/2-y,1/2-x,1/2-z' '1/2+y,1/2+x,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number Sr2+ 2.000 Mn4+ 4.000 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 Sr1 Sr2+ 4 e 0. 0. 0.356 1. 0 d Mn1 Mn4+ 2 a 0. 0. 0. 1. 0 d O1 O2- 4 c 0. 0.5 0. 1. 0 d O2 O2- 4 e 0. 0. 0.157 1. 0 d _refine_ls_R_factor_all 0.02 _cod_database_code 1008126