#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/00/1010035.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_1010035 loop_ _publ_author_name 'Boren, B' _publ_section_title ; Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel ; _journal_coden_ASTM ARKGAJ _journal_issue 10 _journal_name_full 'Arkiv foer Kemi, Mineralogi och Geologi, A' _journal_page_first 1 _journal_page_last 28 _journal_volume 11 _journal_year 1934 _chemical_formula_structural 'Mn Si' _chemical_formula_sum 'Mn Si' _chemical_name_systematic 'Manganese silicide (1/1) - $-epsilon' _space_group_IT_number 198 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 198 _symmetry_space_group_name_Hall 'P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P 21 3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.548(2) _cell_length_b 4.548(2) _cell_length_c 4.548(2) _cell_volume 94.1 _cod_database_code 1010035 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,z,x z,x,y 1/2+x,1/2-y,-z 1/2+y,1/2-z,-x 1/2+z,1/2-x,-y -x,1/2+y,1/2-z -y,1/2+z,1/2-x -z,1/2+x,1/2-y 1/2-x,-y,1/2+z 1/2-y,-z,1/2+x 1/2-z,-x,1/2+y 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 Mn1 Mn0 4 a 0.138(1) 0.138(1) 0.138(1) 1. 0 d Si1 Si0 4 a 0.846(1) 0.846(1) 0.846(1) 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Mn0 0.000 Si0 0.000