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 = 6.3 GPa ; _database_code_amcsd 0003168 _chemical_formula_sum 'Fe O2' _cell_length_a 4.5086 _cell_length_b 9.8759 _cell_length_c 2.9910 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 133.179 _exptl_crystal_density_diffrn 4.381 _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 -0.04720 0.14540 0.25000 O1 0.29500 -0.19600 0.25000 O2 -0.20300 -0.05380 0.25000