#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/35/1523523.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_1523523 loop_ _publ_author_name 'Egorushkin, V.E.' 'Kulkov, S.N.' 'Kulkova, S.E.' _publ_section_title ; Electronic structure and the theory of phase transformation in Ni Mn ; _journal_name_full 'Physica B and C (Netherland) (79,1975-)' _journal_page_first 61 _journal_page_last 68 _journal_volume 123 _journal_year 1983 _chemical_formula_sum 'Mn Ni' _chemical_name_systematic 'Mn Ni' _space_group_IT_number 221 _symmetry_space_group_name_Hall '-P 4 2 3' _symmetry_space_group_name_H-M 'P m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 2.98 _cell_length_b 2.98 _cell_length_c 2.98 _cell_volume 26.464 _citation_journal_id_ASTM PHBCDQ _cod_data_source_file Egorushkin_PHBCDQ_1983_1127.cif _cod_data_source_block Mn1Ni1 _cod_original_cell_volume 26.46359 _cod_original_formula_sum 'Mn1 Ni1' _cod_database_code 1523523 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 z,x,y -x,z,y -z,-x,y x,-z,y z,-x,-y x,z,-y -z,x,-y -x,-z,-y y,z,x y,-z,-x z,y,-x -y,z,-x -z,-y,-x -y,-z,x z,-y,x -z,y,x -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z -z,-x,-y x,-z,-y z,x,-y -x,z,-y -z,x,y -x,-z,y z,-x,y x,z,y -y,-z,-x -y,z,x -z,-y,x y,-z,x z,y,x y,z,-x -z,y,-x z,-y,-x 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 Ni1 Ni 0.5 0.5 0.5 1 0.0 Mn1 Mn 0 0 0 1 0.0