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 = 800 deg C ; _database_code_amcsd 0000490 _chemical_formula_sum 'Fe Si O3' _cell_length_a 18.569 _cell_length_b 9.16 _cell_length_c 5.2974 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 901.046 _exptl_crystal_density_diffrn 3.890 _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 0.37499 0.65130 0.89260 Fe2 0.37666 0.48850 0.38790 Si1 0.27259 0.33690 0.06440 Si2 0.47462 0.33580 0.77830 O1A 0.18550 0.33900 0.06050 O2A 0.31150 0.49260 0.08320 O3A 0.30110 0.24500 0.82270 O1B 0.56170 0.33920 0.77710 O2B 0.43390 0.48320 0.70640 O3B 0.44880 0.21670 0.56040 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 0.02323 0.02623 0.01879 0.00121 -0.00319 0.00128 Fe2 0.03144 0.03758 0.02754 -0.00241 -0.00957 0.00079 Si1 0.01275 0.02274 0.01491 -0.00224 -0.00005 -0.00270 Si2 0.01415 0.02015 0.01651 0.00215 -0.00204 0.00219 O1A 0.01153 0.03571 0.01962 -0.00302 0.00553 0.00275 O2A 0.02935 0.02852 0.02927 -0.00724 -0.00199 0.00032 O3A 0.01817 0.05496 0.01999 0.00086 0.00304 -0.01795 O1B 0.01205 0.03439 0.02744 -0.00491 -0.00219 -0.00130 O2B 0.03127 0.02818 0.02519 0.01301 -0.00060 0.00489 O3B 0.02411 0.03970 0.02724 -0.00620 0.00374 -0.01608