data_global _chemical_name_mineral 'Ferrosilite' loop_ _publ_author_name 'Sueno S' 'Cameron M' 'Prewitt C T' _journal_name_full 'American Mineralogist' _journal_volume 61 _journal_year 1976 _journal_page_first 38 _journal_page_last 53 _publ_section_title ; Orthoferrosilite: High-temperature crystal chemistry T = 24 deg C ; _database_code_amcsd 0000487 _chemical_formula_sum 'Fe Si O3' _cell_length_a 18.418 _cell_length_b 9.078 _cell_length_c 5.2366 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 875.552 _exptl_crystal_density_diffrn 4.003 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-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 Fe1 0.37573 0.65415 0.87460 Fe2 0.37766 0.48567 0.36670 Si1 0.27229 0.33870 0.04930 Si2 0.47310 0.33448 0.78910 O1 0.18480 0.33960 0.03870 O2 0.31180 0.49640 0.05820 O3 0.30250 0.23630 0.81630 O4 0.56100 0.33650 0.78680 O5 0.43320 0.48060 0.69320 O6 0.44760 0.20280 0.58650 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 0.00464 0.00764 0.00518 -0.00008 -0.00068 0.00041 Fe2 0.00705 0.01010 0.00628 -0.00110 -0.00210 0.00051 Si1 0.00378 0.00902 0.00485 0.00000 -0.00024 -0.00005 Si2 0.00361 0.00643 0.00592 0.00085 -0.00064 -0.00031 O1 0.00378 0.00881 0.00996 -0.00093 -0.00132 0.00154 O2 0.01100 0.00902 0.00603 -0.00254 -0.00210 0.00255 O3 0.00601 0.01303 0.00749 0.00144 -0.00147 -0.00347 O4 0.00516 0.01278 0.00906 -0.00296 -0.00308 0.00053 O5 0.00911 0.00948 0.00752 0.00246 0.00049 0.00087 O6 0.00722 0.01081 0.00461 0.00042 0.00029 -0.00118