data_global _chemical_name_mineral 'Cordierite' loop_ _publ_author_name 'Malcherek T' 'Domeneghetti M C' 'Tazzoli V' 'Ottolini L' 'McCammon C A' 'Carpenter M A' _journal_name_full 'American Mineralogist' _journal_volume 86 _journal_year 2001 _journal_page_first 66 _journal_page_last 79 _publ_section_title ; Structural properties of ferromagnesian cordierites Sample: Great Bear Lake, T = 900 C, t = 24 h ; _database_code_amcsd 0002616 _chemical_formula_sum 'Mg1.45 Fe.581 Al3.976 Si4.993 O18 Na.021' _cell_length_a 17.132 _cell_length_b 9.744 _cell_length_c 9.330 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1557.496 _exptl_crystal_density_diffrn 2.574 _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 _atom_site_U_iso_or_equiv MgM 0.33757 0.00000 0.25000 0.72500 0.00649 FeM 0.33757 0.00000 0.25000 0.27500 0.00649 AlT11 0.25000 0.25000 0.25004 0.98800 0.00593 FeT11 0.25000 0.25000 0.25004 0.01200 0.00593 SiT16 0.00000 0.50000 0.25000 0.99300 0.00510 FeT16 0.00000 0.50000 0.25000 0.00700 0.00510 SiT21 0.19183 0.07819 0.00000 1.00000 0.00423 SiT23 0.13504 -0.23677 0.00000 1.00000 0.00446 AlT26 0.05045 0.30737 0.00000 1.00000 0.00460 O11 0.24639 -0.10313 0.35861 1.00000 0.00783 O16 0.06192 -0.41565 0.34876 1.00000 0.00779 O13 -0.17331 -0.30913 0.35824 1.00000 0.00780 O26 0.04336 -0.24898 0.00000 1.00000 0.01162 O21 0.12195 0.18469 0.00000 1.00000 0.01120 O23 0.16388 -0.07901 0.00000 1.00000 0.01115 NaCh2 0.00000 0.00000 0.00000 0.02100 0.01100 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 MgM 0.00515 0.00551 0.00881 0.00000 0.00000 -0.00006 FeM 0.00515 0.00551 0.00881 0.00000 0.00000 -0.00006 AlT11 0.00693 0.00521 0.00566 0.00117 0.00000 0.00000 FeT11 0.00693 0.00521 0.00566 0.00117 0.00000 0.00000 SiT16 0.00474 0.00554 0.00501 0.00000 0.00000 0.00000 FeT16 0.00474 0.00554 0.00501 0.00000 0.00000 0.00000 SiT21 0.00443 0.00322 0.00504 0.00031 0.00000 0.00000 SiT23 0.00403 0.00415 0.00521 -0.00069 0.00000 0.00000 AlT26 0.00392 0.00449 0.00540 0.00048 0.00000 0.00000 O11 0.00972 0.00645 0.00731 -0.00039 0.00326 -0.00093 O16 0.00646 0.00872 0.00818 -0.00131 0.00060 -0.00348 O13 0.00758 0.00855 0.00725 0.00154 -0.00208 -0.00238 O26 0.00402 0.01466 0.01619 -0.00202 0.00000 0.00000 O21 0.00861 0.00958 0.01542 0.00524 0.00000 0.00000 O23 0.01249 0.00477 0.01618 -0.00287 0.00000 0.00000