#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/30/05/2300548.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2300548 loop_ _publ_author_name 'Ellner, M.' 'Kattner, U.' 'Predel, B.' _publ_section_title ; Kristallstrukturdaten von Pd Pb0.2 As0.8 (m). ; _journal_name_full 'Journal of Applied Crystallography' _journal_page_first 277 _journal_page_last 278 _journal_volume 16 _journal_year 1983 _chemical_formula_sum 'As0.8 Pb0.2 Pd' _chemical_name_systematic 'Pd (Pb0.2 As0.8)' _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 3.803 _cell_length_b 3.803 _cell_length_c 5.651 _cell_volume 70.780 _citation_journal_id_ASTM JACGAR _cod_data_source_file Ellner_JACGAR_1983_645.cif _cod_data_source_block As0.8Pb0.2Pd1 _cod_original_cell_volume 70.77968 _cod_original_formula_sum 'As0.8 Pb0.2 Pd1' _cod_database_code 2300548 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -y,-x,-z+1/2 x-y,-y,-z x,x-y,-z+1/2 y,x,-z -x+y,y,-z+1/2 -x,-x+y,-z -x,-y,-z -x+y,-x,-z-1/2 y,-x+y,-z x,y,-z-1/2 x-y,x,-z -y,x-y,-z-1/2 y,x,z-1/2 -x+y,y,z -x,-x+y,z-1/2 -y,-x,z x-y,-y,z-1/2 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 Pb1 Pb+2 0.3333 0.6667 0.25 0.2 0.0 Pd1 Pd+2 0 0 0 1 0.0 As1 As-3 0.3333 0.6667 0.25 0.8 0.0