data_global _chemical_name_mineral 'Cordierite' loop_ _publ_author_name 'Hochella M F' 'Brown G E' 'Ross F K' 'Gibbs G V' _journal_name_full 'American Mineralogist' _journal_volume 64 _journal_year 1979 _journal_page_first 337 _journal_page_last 351 _publ_section_title ; High-temperature crystal chemistry of hydrous Mg- and Fe-cordierite White Well, T = 24 C afer heating. ; _database_code_amcsd 0000708 _chemical_formula_sum '(Mg1.91 Fe.09) Al4 Si5 O18' _cell_length_a 17.119 _cell_length_b 9.746 _cell_length_c 9.361 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1561.806 _exptl_crystal_density_diffrn 2.500 _symmetry_space_group_name_H-M 'C c c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,1/2+z' '1/2-x,1/2+y,1/2+z' 'x,-y,1/2-z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,-z' '-x,-y,z' '1/2-x,1/2-y,z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg 0.16240 0.50000 0.25000 0.95500 Fe 0.16240 0.50000 0.25000 0.04500 Al11 0.25000 0.25000 0.25020 1.00000 Si16 0.00000 0.50000 0.25000 1.00000 Si21 0.19240 0.07780 0.00000 1.00000 Al26 0.05080 0.30790 0.00000 1.00000 Si23 -0.13520 0.23740 0.00000 1.00000 O11 0.24730 0.10340 0.14090 1.00000 O16 0.06230 0.41660 0.15130 1.00000 O13 -0.17330 0.31020 0.14140 1.00000 O21 0.12220 0.18440 0.00000 1.00000 O26 -0.04320 0.24870 0.00000 1.00000 O23 -0.16460 0.08030 0.00000 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 Mg 0.00653 0.00587 0.00999 0.00000 0.00000 0.00000 Fe 0.00653 0.00587 0.00999 0.00000 0.00000 0.00000 Al11 0.00757 0.00510 0.00772 0.00127 0.00000 0.00000 Si16 0.00490 0.00818 0.00599 0.00000 0.00000 0.00000 Si21 0.00475 0.00438 0.00741 0.00008 0.00000 0.00000 Al26 0.00475 0.00597 0.00679 0.00042 0.00000 0.00000 Si23 0.00341 0.00640 0.00626 -0.00110 0.00000 0.00000 O11 0.00980 0.01357 0.00679 0.00025 -0.00252 -0.00051 O16 0.00846 0.01035 0.00879 -0.00025 -0.00081 -0.00333 O13 0.00891 0.00837 0.00928 -0.00169 0.00170 -0.00180 O21 0.01084 0.00857 0.01780 0.00516 0.00000 0.00000 O26 0.00861 0.01256 0.01598 -0.00279 0.00000 0.00000 O23 0.01307 0.00674 0.01829 -0.00017 0.00000 0.00000