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 = 600 deg C olivine ; _database_code_amcsd 0000482 _chemical_formula_sum 'Fe2 Si O4' _cell_length_a 4.841 _cell_length_b 10.521 _cell_length_c 6.126 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 312.010 _exptl_crystal_density_diffrn 4.338 _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 0.00000 0.00000 0.00000 Fe2 0.98660 0.28060 0.25000 Si 0.42950 0.09750 0.25000 O1 0.76730 0.09360 0.25000 O2 0.20940 0.45270 0.25000 O3 0.29060 0.16280 0.04030 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 0.01532 0.03365 0.02110 0.00077 -0.00285 -0.00555 Fe2 0.02018 0.02243 0.01939 -0.00052 0.00000 0.00000 Si 0.00784 0.01907 0.01464 0.00026 0.00000 0.00000 O1 0.01496 0.02019 0.01958 0.00490 0.00000 0.00000 O2 0.00641 0.02355 0.01749 -0.00206 0.00000 0.00000 O3 0.01294 0.01794 0.02567 -0.00129 0.00030 0.00784