#------------------------------------------------------------------------------ #$Date: 2013-05-01 15:57:16 +0300 (Wed, 01 May 2013) $ #$Revision: 83172 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/00/1510057.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_1510057 loop_ _publ_author_name 'Canepa, F.' 'Merlo, F.' 'Fornasini, M.L.' 'Pani, M.' _publ_section_title ; Phases around the 1:1:1 composition in the Yb-Au-Ge and Ca-Au-Ge systems ; _journal_name_full 'Journal of Alloys Compd.' _journal_page_first 82 _journal_page_last 88 _journal_volume 264 _journal_year 1998 _chemical_formula_sum 'Au Ca Ge' _chemical_name_systematic 'Ca Au Ge' _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 98.06 _cell_angle_gamma 90 _cell_formula_units_Z 10 _cell_length_a 10.609 _cell_length_b 4.483 _cell_length_c 13.497 _cell_volume 635.578 _citation_journal_id_ASTM JALCEU _[local]_cod_data_source_file gold_100.cif _[local]_cod_data_source_block Au1Ca1Ge1 _[local]_cod_chemical_formula_sum_orig 'Au1 Ca1 Ge1' _cod_original_cell_volume 635.5782 _cod_database_code 1510057 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,-y,-z x,-y,z x+1/2,y+1/2,z -x+1/2,y+1/2,-z -x+1/2,-y+1/2,-z x+1/2,-y+1/2,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 Ca2 Ca 0.786 0 0.193 1 0.0 Ge5 Ge 0.4787 0 0.1989 0.5 0.0 Au3 Au 0.2785 0 0.0182 0.5 0.0 Ge1 Ge 0.0662 0 0.2307 0.5 0.0 Ge4 Ge 0.3144 0 0.3808 0.5 0.0 Au4 Au 0.3144 0 0.3808 0.5 0.0 Ge2 Ge 0.0806 0 0.5952 0.5 0.0 Au1 Au 0.0662 0 0.2307 0.5 0.0 Au2 Au 0.0806 0 0.5952 0.5 0.0 Au5 Au 0.4787 0 0.1989 0.5 0.0 Ca3 Ca 0 0 0 1 0.0 Ca1 Ca 0.311 0 0.553 1 0.0 Ge3 Ge 0.2785 0 0.0182 0.5 0.0