#------------------------------------------------------------------------------ #$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9000309.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_9000309 loop_ _publ_author_name 'Fleet M E' _publ_section_title ; The crystal structure of parkerite (Ni3Bi2S2) ; _journal_name_full 'American Mineralogist' _journal_page_first 435 _journal_page_last 439 _journal_volume 58 _journal_year 1973 _chemical_formula_sum 'Bi Ni1.5 S' _[local]_cod_chemical_formula_sum_orig 'Ni1.5 Bi S' _chemical_name_mineral Parkerite _symmetry_space_group_name_H-M 'P m a m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.545 _cell_length_b 5.731 _cell_length_c 4.052 _cell_volume 128.766 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,y,-z -x,-y,z 1/2-x,y,z 1/2+x,-y,-z 1/2+x,-y,z 1/2-x,y,-z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ni1 0.00000 0.00000 0.50000 1.00000 0.01165 Ni2 0.25000 0.20400 0.00000 0.50000 0.01165 Bi 0.25000 0.74230 0.00000 1.00000 ? S 0.25000 0.25600 0.50000 1.00000 ? 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 Bi 0.01000 0.01431 0.01317 0.00000 0.00000 0.00000 S 0.01520 0.09626 0.05193 0.00000 0.00000 0.00000