#------------------------------------------------------------------------------ #$Date: 2013-03-29 12:50:04 +0200 (Fri, 29 Mar 2013) $ #$Revision: 77877 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/00/81/9008145.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_9008145 loop_ _publ_author_name 'Hohnke, D.' 'Parthe, E.' _publ_section_title ; The crystal structure of pyrite-related Rh3Se8 ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 164 _journal_page_last 172 _journal_volume 127 _journal_year 1968 _chemical_formula_structural Rh3Se8 _chemical_formula_sum 'Rh3 Se8' _space_group_IT_number 148 _symmetry_space_group_name_Hall '-P 3*' _symmetry_space_group_name_H-M 'R -3 :R' _cell_angle_alpha 90.73 _cell_angle_beta 90.73 _cell_angle_gamma 90.73 _cell_length_a 5.9648 _cell_length_b 5.9648 _cell_length_c 5.9648 _cell_volume 212.169 _exptl_crystal_density_diffrn 7.360 _[local]_cod_cif_authors_sg_H-M 'R -3' _cod_database_code 9008145 _amcsd_database_code AMCSD#0010339 loop_ _symmetry_equiv_pos_as_xyz x,y,z -z,-x,-y y,z,x -x,-y,-z z,x,y -y,-z,-x loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Rh 0.00000 0.50000 0.50000 0.00380 Se1 0.38160 0.38160 0.38160 0.00380 Se2 0.88770 0.11660 0.62040 0.00380