data_global _chemical_name_mineral 'Fayalite' loop_ _publ_author_name 'Smyth J R' _journal_name_full 'American Mineralogist' _journal_volume 60 _journal_year 1975 _journal_page_first 1092 _journal_page_last 1097 _publ_section_title ; High temperature crystal chemistry of fayalite T = 900 deg C olivine ; _database_code_amcsd 483 _chemical_formula_sum 'Fe2 Si O4' _cell_length_a 4.86 _cell_length_b 10.559 _cell_length_c 6.15 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 315.598 _exptl_crystal_density_diffrn 4.289 _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 Fe1 0.0 0.0 0.0 Fe2 0.9871 0.2808 0.25 Si 0.4288 0.0971 0.25 O1 0.7674 0.0941 0.25 O2 0.209 0.4532 0.25 O3 0.2919 0.1625 0.0443 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Fe1 0.02274 0.04462 0.03813 0.00104 -0.00454 -0.00888 Fe2 0.02979 0.02881 0.03047 0.00052 0.0 0.0 Si 0.01137 0.0209 0.02759 0.00182 0.0 0.0 O1 0.01651 0.02824 0.02989 0.00754 0.0 0.0 O2 0.00981 0.02824 0.03296 -0.00624 0.0 0.0 O3 0.01986 0.02146 0.04752 -0.00156 0.00257 0.01151