#------------------------------------------------------------------------------ #$Date: 2008-03-10 08:25:41 +0000 (Mon, 10 Mar 2008) $ #$Revision: 255 $ #$URL: svn://www.crystallography.net/cod/cif/9/9009897.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_9009897 loop_ _publ_author_name 'Rost E' 'Vestersjo E' _publ_section_title ; On the system Ni-Se-Te Note: Phase F, sample 83 Locality: synthetic ; _journal_name_full 'Acta Chemica Scandinavica' _journal_page_first 2118 _journal_page_last 2134 _journal_volume 22 _journal_year 1968 _chemical_formula_sum 'Ni.99 Se1.01' _chemical_name_mineral Sederholmite _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 3.661 _cell_length_b 3.661 _cell_length_c 5.356 _cell_volume 62.169 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-x+y,1/2+z x,x-y,1/2-z -x+y,-x,1/2-z x-y,x,1/2+z -y,-x,z y,x,-z y,-x+y,-z -y,x-y,z x-y,-y,1/2+z -x+y,y,1/2-z x,y,1/2-z -x,-y,1/2+z x,x-y,z -x,-x+y,-z x-y,x,-z -x+y,-x,z y,x,1/2+z -y,-x,1/2-z -y,x-y,1/2-z y,-x+y,1/2+z -x+y,y,z x-y,-y,-z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni 0.00000 0.00000 0.00000 0.99000 Se 0.00000 0.00000 0.00000 0.01000 Se 0.33333 0.66667 0.25000 1.00000