data_global _chemical_name_mineral 'Goethite' loop_ _publ_author_name 'Nagai T' 'Kagi H' 'Yamanaka T' _journal_name_full 'American Mineralogist' _journal_volume 88 _journal_year 2003 _journal_page_first 1423 _journal_page_last 1427 _publ_section_title ; Variation of hydrogen bonded O...O distances in goethite at high pressure Sample at P = 0.5 GPa ; _database_code_amcsd 0003166 _chemical_formula_sum 'Fe O2' _cell_length_a 4.6152 _cell_length_b 9.9870 _cell_length_c 3.0316 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 139.733 _exptl_crystal_density_diffrn 4.176 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-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,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 Fe -0.04850 0.14660 0.25000 O1 0.28800 -0.19680 0.25000 O2 -0.19800 -0.05410 0.25000