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:126231 Tanzania, T = 900 C, t = 24h ; _database_code_amcsd 0002612 _chemical_formula_sum 'Mg1.816 Fe.208 Al3.976 Si5 O18 Na.086' _cell_length_a 17.089 _cell_length_b 9.729 _cell_length_c 9.350 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1554.521 _exptl_crystal_density_diffrn 2.536 _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 0.33750 0.00000 0.25000 0.90800 0.00648 FeM 0.33750 0.00000 0.25000 0.09200 0.00648 AlT11 0.25000 0.25000 0.25014 0.98800 0.00580 FeT11 0.25000 0.25000 0.25014 0.01200 0.00580 SiT16 0.00000 0.50000 0.25000 1.00000 0.00468 SiT21 0.19241 0.07782 0.00000 1.00000 0.00419 SiT23 0.13509 -0.23748 0.00000 1.00000 0.00427 AlT26 0.05078 0.30787 0.00000 1.00000 0.00452 O11 0.24706 -0.10275 0.35876 1.00000 0.00777 O16 0.06229 -0.41607 0.34893 1.00000 0.00745 O13 -0.17325 -0.31013 0.35842 1.00000 0.00779 O26 0.04320 -0.24863 0.00000 1.00000 0.01139 O21 0.12219 0.18450 0.00000 1.00000 0.01137 O23 0.16419 -0.07953 0.00000 1.00000 0.01107 NaCh2 0.00000 0.00000 0.00000 0.08600 0.06600 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 0.00540 0.00611 0.00793 0.00000 0.00000 -0.00006 FeM 0.00540 0.00611 0.00793 0.00000 0.00000 -0.00006 AlT11 0.00670 0.00535 0.00535 0.00131 0.00000 0.00000 FeT11 0.00670 0.00535 0.00535 0.00131 0.00000 0.00000 SiT16 0.00400 0.00567 0.00437 0.00000 0.00000 0.00000 SiT21 0.00441 0.00368 0.00449 0.00023 0.00000 0.00000 SiT23 0.00377 0.00443 0.00460 -0.00061 0.00000 0.00000 AlT26 0.00375 0.00500 0.00479 0.00057 0.00000 0.00000 O11 0.00958 0.00707 0.00666 -0.00055 0.00302 -0.00077 O16 0.00620 0.00912 0.00703 -0.00095 0.00024 -0.00316 O13 0.00792 0.00847 0.00698 0.00127 -0.00208 -0.00236 O26 0.00439 0.01494 0.01484 -0.00221 0.00000 0.00000 O21 0.00940 0.00971 0.01499 0.00563 0.00000 0.00000 O23 0.01253 0.00486 0.01582 -0.00307 0.00000 0.00000 NaCh2 0.05100 0.01900 0.12800 0.00000 0.00000 0.00000