#------------------------------------------------------------------------------ #$Date: 2015-10-09 12:06:15 +0300 (Fri, 09 Oct 2015) $ #$Revision: 161417 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/45/1534580.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_1534580 loop_ _publ_author_name 'Gieck, C.' 'Cavet, S.' 'Schreyer, M.' 'Faessler, T.F.' 'Claus, P.' _publ_section_title ; Synthesis, crystal structure, and catalytic properties of Mg Co6 Ge6 ; _journal_name_full 'Chemistry - A European Journal' _journal_page_first 1924 _journal_page_last 1930 _journal_volume 12 _journal_year 2006 _chemical_formula_sum 'Co6 Ge6 Mg' _chemical_name_systematic 'Mg Co6 Ge6' _space_group_IT_number 191 _symmetry_space_group_name_Hall '-P 6 2' _symmetry_space_group_name_H-M 'P 6/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _cell_length_a 5.0709 _cell_length_b 5.0709 _cell_length_c 7.7446 _cell_volume 172.465 _citation_journal_id_ASTM CEUJED _cod_data_source_file Gieck_CEUJED_2006_1998.cif _cod_data_source_block Co6Ge6Mg1 _cod_original_cell_volume 172.4645 _cod_chemical_formula_sum_orig 'Co6 Ge6 Mg1' _cod_database_code 1534580 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z -y,x-y,z -x,-y,z -x+y,-x,z y,-x+y,z -y,-x,-z x-y,-y,-z x,x-y,-z y,x,-z -x+y,y,-z -x,-x+y,-z -x,-y,-z -x+y,-x,-z y,-x+y,-z x,y,-z x-y,x,-z -y,x-y,-z y,x,z -x+y,y,z -x,-x+y,z -y,-x,z x-y,-y,z x,x-y,z 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 Ge1 Ge 0.3333 0.6667 0 1 0.0 Co1 Co 0 0.5 0.24961 1 0.0 Ge3 Ge 0 0 0.33851 1 0.0 Mg1 Mg 0 0 0 1 0.0 Ge2 Ge 0.3333 0.6667 0.5 1 0.0