#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2300068.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2300068 _journal_name_full 'Journal of Applied Crystallography' _journal_year 2004 _journal_volume 37 _journal_page_first 82 _journal_page_last 90 _chemical_formula_sum "C Fe3" _chemical_formula_weight 179.55 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M "P n m a" loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -x+1/2,+y+1/2,+z+1/2 3 +x,-y+1/2,+z 4 -x+1/2,-y,+z+1/2 -1 -x,-y,-z -2 +x+1/2,-y+1/2,-z+1/2 -3 -x,+y+1/2,-z -4 +x+1/2,+y,-z+1/2 _cell_length_a 5.08396(16) _cell_length_b 6.7433(2) _cell_length_c 4.51368(13) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 154.7412 _cell_formula_units_Z 4 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_occupancy _atom_site_type_symbol Fe1 0.18428 0.05771 0.33277 0.01318 Uiso 1.0 FE Fe2 0.03415 0.25 0.84029 0.01318 Uiso 1.0 FE C 0.89539 0.25 0.44953 0.03787 Uiso 1.0 C