#------------------------------------------------------------------------------ #$Date: 2013-05-01 01:06:24 +0300 (Wed, 01 May 2013) $ #$Revision: 83028 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/99/1509954.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_1509954 loop_ _publ_author_name 'Rand, R.P.' 'Calvert, L.D.' _publ_section_title ; The crystal structure of Ag3 Ca5 ; _journal_name_full 'Canadian Journal of Chemistry' _journal_page_first 705 _journal_page_last 710 _journal_volume 40 _journal_year 1962 _chemical_formula_sum 'Ag3 Ca5' _chemical_name_systematic 'Ag3 Ca5' _space_group_IT_number 140 _symmetry_space_group_name_Hall '-I 4 2c' _symmetry_space_group_name_H-M 'I 4/m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.039 _cell_length_b 8.039 _cell_length_c 15.011 _cell_volume 970.094 _citation_journal_id_ASTM CJCHAG _[local]_cod_data_source_file silver3-x_25.cif _[local]_cod_data_source_block Ag3Ca5 _cod_original_cell_volume 970.0936 _cod_database_code 1509954 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z+1/2 y,x,-z+1/2 -x,y,-z+1/2 -y,-x,-z+1/2 -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z-1/2 -y,-x,z-1/2 x,-y,z-1/2 y,x,z-1/2 x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1 y+1/2,x+1/2,-z+1 -x+1/2,y+1/2,-z+1 -y+1/2,-x+1/2,-z+1 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z -y+1/2,-x+1/2,z x+1/2,-y+1/2,z y+1/2,x+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 Ag1 Ag 0 0 0.25 1 0.0 Ca1 Ca 0 0 0 1 0.0 Ag2 Ag 0.378 0.878 0 1 0.0 Ca2 Ca 0.164 0.664 0.15 1 0.0