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 ; _database_code_amcsd 0002606 _chemical_formula_sum 'Mg1.834 Fe.204 Al3.97 Si4.992 O18.764 Na.084 C.192 H.76' _cell_length_a 17.0645 _cell_length_b 9.7281 _cell_length_c 9.3515 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1552.397 _exptl_crystal_density_diffrn 2.604 _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 0.33736 0.00000 0.25000 0.91700 0.00639 FeM 0.33736 0.00000 0.25000 0.08300 0.00639 AlT11 0.25000 0.25000 0.25020 0.98500 0.00585 FeT11 0.25000 0.25000 0.25020 0.01500 0.00585 SiT16 0.00000 0.50000 0.25000 0.99200 0.00492 FeT16 0.00000 0.50000 0.25000 0.00800 0.00492 SiT21 0.19258 0.07786 0.00000 1.00000 0.00421 SiT23 0.13513 -0.23727 0.00000 1.00000 0.00435 AlT26 0.05091 0.30800 0.00000 1.00000 0.00453 O11 0.24727 -0.10284 0.35879 1.00000 0.00783 O16 0.06223 -0.41618 0.34898 1.00000 0.00748 O13 -0.17310 -0.31010 0.35851 1.00000 0.00800 O26 0.04303 -0.24727 0.00000 1.00000 0.01158 O21 0.12227 0.18445 0.00000 1.00000 0.01156 O23 0.16444 -0.07961 0.00000 1.00000 0.01104 WatCh1 0.00000 0.00000 0.25000 0.38000 0.16100 NaCh2 0.00000 0.00000 0.00000 0.08400 0.03800 CCh1c 0.00000 0.00000 0.25000 0.19200 0.03100 OCh1x 0.05953 0.00000 0.25000 0.19200 0.08200 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 0.00543 0.00592 0.00782 0.00000 0.00000 -0.00016 FeM 0.00543 0.00592 0.00782 0.00000 0.00000 -0.00016 AlT11 0.00694 0.00534 0.00529 0.00145 0.00000 0.00000 FeT11 0.00694 0.00534 0.00529 0.00145 0.00000 0.00000 SiT16 0.00428 0.00596 0.00450 0.00000 0.00000 0.00000 FeT16 0.00428 0.00596 0.00450 0.00000 0.00000 0.00000 SiT21 0.00451 0.00355 0.00457 0.00025 0.00000 0.00000 SiT23 0.00395 0.00443 0.00467 -0.00055 0.00000 0.00000 AlT26 0.00388 0.00489 0.00481 0.00046 0.00000 0.00000 O11 0.00980 0.00692 0.00676 -0.00046 0.00322 -0.00096 O16 0.00634 0.00913 0.00696 -0.00072 0.00027 -0.00314 O13 0.00805 0.00859 0.00735 0.00131 -0.00190 -0.00240 O26 0.00442 0.01468 0.01565 -0.00236 0.00000 0.00000 O21 0.00934 0.00969 0.01564 0.00528 0.00000 0.00000 O23 0.01240 0.00450 0.01620 -0.00292 0.00000 0.00000 NaCh2 0.03800 0.02200 0.05300 0.00000 0.00000 0.00000