data_global _chemical_name_mineral 'Hydrohematite' loop_ _publ_author_name 'Peterson K M' 'Heaney P J' 'Post J E' 'Eng P J' _journal_name_full 'American Mineralogist' _journal_volume 100 _journal_year 2015 _journal_page_first 570 _journal_page_last 579 _publ_section_title ; A refined monoclinic structure for a variety of "hydrohematite" Note: T = 38 C ; _database_code_amcsd 0020338 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Fe1.946 O3' _cell_length_a 7.3951 _cell_length_b 5.0117 _cell_length_c 5.4417 _cell_angle_alpha 90 _cell_angle_beta 95.666 _cell_angle_gamma 90 _cell_volume 200.695 _exptl_crystal_density_diffrn 5.185 _symmetry_space_group_name_H-M 'I 1 2/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2-x,y,-z' '-x,1/2+y,1/2-z' '1/2+x,-y,z' '+x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Fe 0.35890 -0.00430 0.29440 0.97300 0.00400 O1 0.41170 0.85790 0.63270 1.00000 0.00700 O2 0.25000 0.18300 0.00000 1.00000 0.00700