#------------------------------------------------------------------------------ #$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $ #$Revision: 85285 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/00/92/9009245.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # 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_9009245 loop_ _publ_author_name 'Hiller, J. E.' 'Wegener, W.' _publ_section_title ; Untersuchungen im system nickel-selen ; _journal_name_full 'Neues Jahrbuch fur Mineralogie, Abhandlungen' _journal_page_first 1147 _journal_page_last 1159 _journal_volume 94 _journal_year 1960 _chemical_formula_sum 'Ni3 Se4' _chemical_name_mineral Wilkmanite _space_group_IT_number 12 _symmetry_space_group_name_Hall '-I 2y' _symmetry_space_group_name_H-M 'I 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 90.05 _cell_angle_gamma 90 _cell_length_a 6.19 _cell_length_b 3.633 _cell_length_c 10.45 _cell_volume 235.002 _exptl_crystal_density_diffrn 6.952 _cod_database_code 9009245 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