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 = -196 deg C, P = 1 atm ; _database_code_amcsd 0000565 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Fe2 Si O4' _cell_length_a 4.814 _cell_length_b 10.448 _cell_length_c 6.076 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 305.603 _exptl_crystal_density_diffrn 4.429 _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 0.98610 0.27990 0.25000 Si 0.43130 0.09710 0.25000 O1 0.76840 0.09050 0.25000 O2 0.20750 0.45470 0.25000 O3 0.28750 0.16460 0.03590 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 0.00129 0.00498 0.00879 0.00025 -0.00030 -0.00064 Fe2 0.00211 0.00442 0.00860 0.00000 0.00000 0.00000 Si 0.00141 0.00442 0.01141 0.00127 0.00000 0.00000 O1 0.00047 0.00774 0.01665 0.00255 0.00000 0.00000 O2 0.00188 0.00719 0.01608 0.00178 0.00000 0.00000 O3 0.00423 0.00664 0.01328 -0.00051 0.00163 -0.00096