data_global _chemical_name_mineral 'Fayalite' loop_ _publ_author_name 'Hazen R M' _journal_name_full 'American Mineralogist' _journal_volume 62 _journal_year 1977 _journal_page_first 286 _journal_page_last 295 _publ_section_title ; Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 600 deg C, P = 1 atm ; _database_code_amcsd 0000572 _chemical_compound_source 'Franklin, New Jersey, USA' _chemical_formula_sum '(Fe1.1 Mg.75 Mn.15) Si O4' _cell_length_a 4.822 _cell_length_b 10.460 _cell_length_c 6.101 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 307.723 _exptl_crystal_density_diffrn 3.885 _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 _atom_site_occupancy Fe1 0.00000 0.00000 0.00000 0.56200 Mg1 0.00000 0.00000 0.00000 0.36100 Mn1 0.00000 0.00000 0.00000 0.07700 Fe2 0.98780 0.28020 0.25000 0.53800 Mg2 0.98780 0.28020 0.25000 0.38900 Mn2 0.98780 0.28020 0.25000 0.07300 Si 0.42890 0.09580 0.25000 1.00000 O1 0.76320 0.09260 0.25000 1.00000 O2 0.21230 0.45140 0.25000 1.00000 O3 0.28530 0.16310 0.03700 1.00000 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 0.01461 0.02716 0.01584 0.00026 -0.00268 -0.00550 Mg1 0.01461 0.02716 0.01584 0.00026 -0.00268 -0.00550 Mn1 0.01461 0.02716 0.01584 0.00026 -0.00268 -0.00550 Fe2 0.01838 0.01330 0.01509 0.00051 0.00000 0.00000 Mg2 0.01838 0.01330 0.01509 0.00051 0.00000 0.00000 Mn2 0.01838 0.01330 0.01509 0.00051 0.00000 0.00000 Si 0.00883 0.01441 0.01320 0.00077 0.00000 0.00000 O1 0.01048 0.02273 0.01603 0.00077 0.00000 0.00000 O2 0.02167 0.01053 0.01961 -0.00153 0.00000 0.00000 O3 0.01696 0.02383 0.01565 0.00358 0.00045 0.00517