#------------------------------------------------------------------------------ #$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $ #$Revision: 255 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9004073.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_9004073 loop_ _publ_author_name 'Childs J D' 'Hall S R' _publ_section_title ; The crystal structure of michenerite, PdBiTe ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 61 _journal_page_last 65 _journal_volume 12 _journal_year 1973 _chemical_formula_sum 'Pd Te Bi.88 Sb.11' _chemical_name_mineral Michenerite _symmetry_space_group_name_H-M 'P 21 3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 6.642 _cell_length_b 6.642 _cell_length_c 6.642 _cell_volume 293.020 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-z,-x,1/2+y -z,1/2+x,1/2-y 1/2+z,1/2-x,-y z,x,y 1/2+y,1/2-z,-x 1/2-y,-z,1/2+x -y,1/2+z,1/2-x y,z,x -x,1/2+y,1/2-z 1/2+x,1/2-y,-z 1/2-x,-y,1/2+z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd 0.00480 0.00480 0.00480 1.00000 Te 0.62700 0.62700 0.62700 1.00000 Bi 0.36840 0.36840 0.36840 0.88000 Sb 0.36840 0.36840 0.36840 0.11000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pd 0.00920 0.00920 0.00920 0.00010 0.00010 0.00010 Te 0.00990 0.00990 0.00990 0.00090 0.00090 0.00090 Bi 0.00890 0.00890 0.00890 0.00120 0.00120 0.00120 Sb 0.00890 0.00890 0.00890 0.00120 0.00120 0.00120