#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009245.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_9009245 _chemical_name 'Wilkmanite' loop_ _publ_author_name 'Hiller J E' 'Wegener W' _journal_name_full "Neues Jahrbuch fur Mineralogie, Abhandlungen" _journal_volume 94 _journal_year 1960 _journal_page_first 1147 _journal_page_last 1159 _publ_section_title ; Untersuchungen im system nickel-selen ; _chemical_formula_sum 'Ni3 Se4' _cell_length_a 6.19 _cell_length_b 3.633 _cell_length_c 10.45 _cell_angle_alpha 90 _cell_angle_beta 90.05 _cell_angle_gamma 90 _cell_volume 235.002 _symmetry_space_group_name_H-M 'I 1 2/m 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ni1 0.00000 0.00000 0.00000 Ni2 0.00000 0.00000 0.25000 Se1 0.33333 0.00000 0.12500 Se2 0.33333 0.00000 0.62500