data_global _chemical_name_mineral 'Chukanovite' loop_ _publ_author_name 'Lee A' 'Xu H' _journal_name_full 'Chemical Geology' _journal_volume 488 _journal_year 2018 _journal_page_first 180 _journal_page_last 188 _publ_section_title ; The crystal structure and Gibbs free energy of formation of chukanovite as an oxidation product of carbon steel in human liver ; _database_code_amcsd 0020884 _chemical_compound_source 'surgery product from a man's liver' _chemical_formula_sum 'Fe2 C O5 H2' _cell_length_a 12.402 _cell_length_b 9.414 _cell_length_c 3.216 _cell_angle_alpha 90 _cell_angle_beta 97.73 _cell_angle_gamma 90 _cell_volume 372.064 _exptl_crystal_density_diffrn 3.673 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Fe1 0.21090 0.00090 0.95880 0.07500 Fe2 0.39490 0.76880 0.56510 0.07500 C 0.14360 0.73310 0.49350 0.21700 O1 0.14010 0.86440 0.36910 0.08100 O2 0.23420 0.66710 0.54790 0.08100 O3 0.05390 0.67150 0.55520 0.08100 O-H4 0.37940 0.89970 0.05760 0.06300 O-H5 0.42660 0.61810 0.13270 0.06300