#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/81/1008126.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 loop_ _publ_author_name 'Bouloux, J C' 'Soubeyroux, J L' 'le Flem, G' 'Hagenmueller, P' _publ_section_title ; Bidimensional Magnetic Properties of $-beta- Sr~2~ Mn O~4~ ; _journal_coden_ASTM JSSCBI _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 34 _journal_page_last 39 _journal_paper_doi 10.1016/0022-4596(81)90469-2 _journal_volume 38 _journal_year 1981 _chemical_formula_structural 'Sr2 Mn O4' _chemical_formula_sum 'Mn O4 Sr2' _chemical_name_systematic 'Strontium tetraoxomanganate(IV) - $-beta' _space_group_IT_number 139 _symmetry_cell_setting tetragonal _symmetry_Int_Tables_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.787 _cell_length_b 3.787 _cell_length_c 12.496 _cell_volume 179.2 _refine_ls_R_factor_all 0.02 _cod_duplicate_entry 1008125 _cod_database_code 1008126 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_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 loop_ _atom_type_symbol _atom_type_oxidation_number Sr2+ 2.000 Mn4+ 4.000 O2- -2.000