#------------------------------------------------------------------------------ #$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $ #$Revision: 1071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009792.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_9009792 loop_ _publ_author_name 'Tengner, S.' _publ_section_title ; Uber diselenide und ditelluride von eisen, kobalt und nickel ; _journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie' _journal_page_first 126 _journal_page_last 132 _journal_volume 239 _journal_year 1938 _chemical_formula_sum 'Fe Se2' _chemical_name_mineral Ferroselite _space_group_IT_number 58 _symmetry_space_group_name_Hall '-P 2n 2' _symmetry_space_group_name_H-M 'P m n n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 3.575 _cell_length_b 4.791 _cell_length_c 5.715 _cell_volume 97.886 _exptl_crystal_density_diffrn 7.253 _[local]_cod_data_source_file cifdata.txt _[local]_cod_data_source_block 'global_12487' _cod_database_code 9009792 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2+y,1/2-z 1/2-x,1/2-y,1/2+z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2-z -x,y,z x,-y,-z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe 0.00000 0.00000 0.00000 Se 0.00000 0.21000 0.37000