#------------------------------------------------------------------------------ #$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $ #$Revision: 291735 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/00/85/9008537.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_9008537 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Second edition. Interscience Publishers, New York, New York Sample at T = 1073 K Body centered cubic, bcc, structure ; _journal_name_full 'Crystal Structures' _journal_page_first 7 _journal_page_last 83 _journal_volume 1 _journal_year 1963 _chemical_formula_sum Fe _chemical_name_common Iron-beta _chemical_name_mineral Iron-beta _space_group_IT_number 229 _symmetry_space_group_name_Hall '-I 4 2 3' _symmetry_space_group_name_H-M 'I m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 2.91 _cell_length_b 2.91 _cell_length_c 2.91 _cell_formula_units_Z 2 _cell_volume 24.642 _database_code_amcsd 0011215 _diffrn_ambient_temperature 1073 _exptl_crystal_density_diffrn 7.527 _cod_original_sg_symbol_H-M 'I m 3 m' _cod_database_code 9008537 loop_ _space_group_symop_operation_xyz x,y,z 1/2+x,1/2+y,1/2+z z,-x,y 1/2+z,1/2-x,1/2+y -y,z,-x 1/2-y,1/2+z,1/2-x x,-y,z 1/2+x,1/2-y,1/2+z -z,x,-y 1/2-z,1/2+x,1/2-y y,-z,x 1/2+y,1/2-z,1/2+x -x,y,-z 1/2-x,1/2+y,1/2-z x,-z,-y 1/2+x,1/2-z,1/2-y -z,y,x 1/2-z,1/2+y,1/2+x y,-x,-z 1/2+y,1/2-x,1/2-z -x,z,y 1/2-x,1/2+z,1/2+y z,-y,-x 1/2+z,1/2-y,1/2-x -y,x,z 1/2-y,1/2+x,1/2+z x,z,y 1/2+x,1/2+z,1/2+y -z,-y,-x 1/2-z,1/2-y,1/2-x y,x,z 1/2+y,1/2+x,1/2+z -x,-z,-y 1/2-x,1/2-z,1/2-y z,y,x 1/2+z,1/2+y,1/2+x -y,-x,-z 1/2-y,1/2-x,1/2-z z,x,-y 1/2+z,1/2+x,1/2-y -y,-z,x 1/2-y,1/2-z,1/2+x x,y,-z 1/2+x,1/2+y,1/2-z -z,-x,y 1/2-z,1/2-x,1/2+y y,z,-x 1/2+y,1/2+z,1/2-x -x,-y,z 1/2-x,1/2-y,1/2+z -z,x,y 1/2-z,1/2+x,1/2+y y,-z,-x 1/2+y,1/2-z,1/2-x -x,y,z 1/2-x,1/2+y,1/2+z z,-x,-y 1/2+z,1/2-x,1/2-y -y,z,x 1/2-y,1/2+z,1/2+x x,-y,-z 1/2+x,1/2-y,1/2-z -x,z,-y 1/2-x,1/2+z,1/2-y z,-y,x 1/2+z,1/2-y,1/2+x -y,x,-z 1/2-y,1/2+x,1/2-z x,-z,y 1/2+x,1/2-z,1/2+y -z,y,-x 1/2-z,1/2+y,1/2-x y,-x,z 1/2+y,1/2-x,1/2+z -x,-z,y 1/2-x,1/2-z,1/2+y z,y,-x 1/2+z,1/2+y,1/2-x -y,-x,z 1/2-y,1/2-x,1/2+z x,z,-y 1/2+x,1/2+z,1/2-y -z,-y,x 1/2-z,1/2-y,1/2+x y,x,-z 1/2+y,1/2+x,1/2-z -z,-x,-y 1/2-z,1/2-x,1/2-y y,z,x 1/2+y,1/2+z,1/2+x -x,-y,-z 1/2-x,1/2-y,1/2-z z,x,y 1/2+z,1/2+x,1/2+y -y,-z,-x 1/2-y,1/2-z,1/2-x loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe 0.00000 0.00000 0.00000 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 ChemSpider 22368 2 AMCSD 0011215