#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/03/18/4031808.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_4031808 loop_ _publ_author_name 'Yanagisawa, S.' 'Tashiro, M.' 'Anzai, S.' _publ_section_title ; Crystal Structure of Magnesium Ditelluride ; _journal_name_full 'Journal of Inorganic and Nuclear Chemistry' _journal_page_first 943 _journal_page_last 946 _journal_volume 31 _journal_year 1969 _chemical_formula_sum 'Mg Te2' _chemical_name_systematic 'Mg Te2' _space_group_IT_number 205 _symmetry_space_group_name_Hall '-P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P a -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.025 _cell_length_b 7.025 _cell_length_c 7.025 _cell_volume 346.688 _citation_journal_id_ASTM JINCAO _cod_data_source_file Yanagisawa_JINCAO_1969_1701.cif _cod_data_source_block Mg1Te2 _cod_original_cell_volume 346.6881 _cod_original_formula_sum 'Mg1 Te2' _cod_database_code 4031808 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z -x,y+1/2,-z+1/2 z,x,y -z+1/2,-x,y+1/2 z+1/2,-x+1/2,-y -z,x+1/2,-y+1/2 y,z,x y+1/2,-z+1/2,-x -y,z+1/2,-x+1/2 -y+1/2,-z,x+1/2 -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z x,-y-1/2,z-1/2 -z,-x,-y z-1/2,x,-y-1/2 -z-1/2,x-1/2,y z,-x-1/2,y-1/2 -y,-z,-x -y-1/2,z-1/2,x y,-z-1/2,x-1/2 y-1/2,z,-x-1/2 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 Mg1 Mg 0 0 0 1 0.0 Te1 Te 0.389 0.389 0.389 1 0.0