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 = 600 deg C ; _database_code_amcsd 489 _chemical_formula_sum 'Fe Si O3' _cell_length_a 18.527 _cell_length_b 9.145 _cell_length_c 5.2756 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 893.842 _exptl_crystal_density_diffrn 3.922 _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 0.37517 0.65204 0.8869 Fe2 0.37714 0.4876 0.3805 Si1 0.27247 0.3376 0.0598 Si2 0.47411 0.335 0.7827 O1A 0.1854 0.3393 0.0532 O2A 0.3112 0.4932 0.0756 O3A 0.3014 0.2434 0.8192 O1B 0.5613 0.3379 0.7812 O2B 0.434 0.4825 0.7011 O3B 0.4487 0.21 0.5719 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 0.01774 0.02123 0.01541 0.00077 -0.00257 0.00081 Fe2 0.024 0.03004 0.02202 -0.00189 -0.00758 0.00161 Si1 0.01165 0.01792 0.01189 -0.00223 -5e-05 -0.00127 Si2 0.01113 0.01801 0.01224 0.00155 -0.00149 -0.001 O1A 0.01165 0.0236 0.01992 -0.00129 0.00025 -0.00039 O2A 0.02991 0.02029 0.02279 -0.00695 -0.00129 0.00059 O3A 0.01391 0.03711 0.01747 0.0 -0.00149 -0.01569 O1B 0.01461 0.0311 0.01956 -0.00532 -0.00154 0.00149 O2B 0.02556 0.02025 0.02208 0.00824 -0.00327 0.00288 O3B 0.02035 0.02805 0.0182 -0.00472 0.00436 -0.00628