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: 1960728 Orijarvi, Finland, T = 900 C, t = 24 h ; _database_code_amcsd 0002615 _chemical_formula_sum 'Mg1.582 Fe.453 Al3.974 Si4.991 O18 Na.038' _cell_length_a 17.119 _cell_length_b 9.735 _cell_length_c 9.334 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1555.543 _exptl_crystal_density_diffrn 2.562 _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 0.33754 0.00000 0.25000 0.79100 0.00663 FeM 0.33754 0.00000 0.25000 0.20900 0.00663 AlT11 0.25000 0.25000 0.25007 0.98700 0.00593 FeT11 0.25000 0.25000 0.25007 0.01300 0.00593 SiT16 0.00000 0.50000 0.25000 0.99100 0.00523 FeT16 0.00000 0.50000 0.25000 0.00900 0.00523 SiT21 0.19202 0.07809 0.00000 1.00000 0.00431 SiT23 0.13506 -0.23699 0.00000 1.00000 0.00444 AlT26 0.05054 0.30758 0.00000 1.00000 0.00462 O11 0.24663 -0.10297 0.35844 1.00000 0.00778 O16 0.06210 -0.41591 0.34889 1.00000 0.00770 O13 -0.17335 -0.30947 0.35823 1.00000 0.00771 O26 0.04345 -0.24929 0.00000 1.00000 0.01136 O21 0.12212 0.18498 0.00000 1.00000 0.01142 O23 0.16405 -0.07917 0.00000 1.00000 0.01092 NaCh2 0.00000 0.00000 0.00000 0.03800 0.18200 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 0.00556 0.00583 0.00851 0.00000 0.00000 -0.00010 FeM 0.00556 0.00583 0.00851 0.00000 0.00000 -0.00010 AlT11 0.00688 0.00542 0.00548 0.00128 0.00000 0.00000 FeT11 0.00688 0.00542 0.00548 0.00128 0.00000 0.00000 SiT16 0.00490 0.00585 0.00493 0.00000 0.00000 0.00000 FeT16 0.00490 0.00585 0.00493 0.00000 0.00000 0.00000 SiT21 0.00439 0.00352 0.00503 0.00019 0.00000 0.00000 SiT23 0.00396 0.00431 0.00505 -0.00065 0.00000 0.00000 AlT26 0.00387 0.00491 0.00507 0.00072 0.00000 0.00000 O11 0.00960 0.00669 0.00705 -0.00072 0.00285 -0.00101 O16 0.00663 0.00902 0.00745 -0.00124 0.00022 -0.00324 O13 0.00786 0.00809 0.00720 0.00128 -0.00202 -0.00224 O26 0.00438 0.01457 0.01513 -0.00166 0.00000 0.00000 O21 0.00891 0.00956 0.01579 0.00495 0.00000 0.00000 O23 0.01250 0.00473 0.01554 -0.00299 0.00000 0.00000 NaCh2 0.07700 0.02700 0.44400 -0.00500 0.00000 0.00000