#------------------------------------------------------------------------------ #$Date: 2013-03-29 12:50:04 +0200 (Fri, 29 Mar 2013) $ #$Revision: 77877 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/24/9012406.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_9012406 loop_ _publ_author_name 'Stassen, W. N.' 'Heyding, R. D.' _publ_section_title ; Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2 ; _journal_name_full 'Canadian Journal of Chemistry' _journal_page_first 2159 _journal_page_last 2163 _journal_volume 46 _journal_year 1968 _chemical_formula_structural RuSe2 _chemical_formula_sum 'Ru Se2' _space_group_IT_number 205 _symmetry_space_group_name_Hall '-P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P a -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.935 _cell_length_b 5.935 _cell_length_c 5.935 _cell_volume 209.056 _exptl_crystal_density_diffrn 8.229 _[local]_cod_cif_authors_sg_H-M 'P a 3' _cod_database_code 9012406 _amcsd_database_code AMCSD#0013126 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 -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 Ru 0.00000 0.00000 0.00000 Se 0.38100 0.38100 0.38100