data_global _chemical_name_mineral 'Goethite' loop_ _publ_author_name 'Gualtieri A' 'Venturelli P' _journal_name_full 'American Mineralogist' _journal_volume 84 _journal_year 1999 _journal_page_first 895 _journal_page_last 904 _publ_section_title ; In situ study of the goethite-hematite phase transformation by real time synchrotron powder diffraction Sample at T = 156 C ; _database_code_amcsd 0002227 _chemical_formula_sum 'Fe H O2' _cell_length_a 9.9189 _cell_length_b 3.0148 _cell_length_c 4.5835 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 137.063 _exptl_crystal_density_diffrn 4.306 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+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 Fe 0.14590 0.25000 -0.04890 0.04800 H -0.10500 0.25000 -0.41100 0.06000 O1 -0.19940 0.25000 0.28600 0.05000 O2 -0.04990 0.25000 -0.20900 0.05000