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: 85131, Mt Bity, Madagaskar ; _database_code_amcsd 0002609 _chemical_formula_sum 'Mg1.614 Fe.432 Al3.962 Si4.992 O18.55 Na.056 H1.1' _cell_length_a 17.0987 _cell_length_b 9.7388 _cell_length_c 9.3347 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1554.422 _exptl_crystal_density_diffrn 2.605 _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 0.33746 0.00000 0.25000 0.80700 0.00652 FeM 0.33746 0.00000 0.25000 0.19300 0.00652 AlT11 0.25000 0.25000 0.25009 0.98100 0.00610 FeT11 0.25000 0.25000 0.25009 0.01900 0.00610 SiT16 0.00000 0.50000 0.25000 0.99200 0.00498 FeT16 0.00000 0.50000 0.25000 0.00800 0.00498 SiT21 0.19213 0.07807 0.00000 1.00000 0.00426 SiT23 0.13511 -0.23686 0.00000 1.00000 0.00433 AlT26 0.05064 0.30764 0.00000 1.00000 0.00455 O11 0.24677 -0.10308 0.35865 1.00000 0.00781 O16 0.06208 -0.41594 0.34889 1.00000 0.00768 O13 -0.17326 -0.30947 0.35835 1.00000 0.00776 O26 0.04321 -0.24788 0.00000 1.00000 0.01167 O21 0.12197 0.18448 0.00000 1.00000 0.01145 O23 0.16417 -0.07919 0.00000 1.00000 0.01105 WatCh1 0.00000 0.00000 0.25000 0.55000 0.19500 NaCh2 0.00000 0.00000 0.00000 0.05600 0.03700 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 0.00541 0.00571 0.00843 0.00000 0.00000 -0.00003 FeM 0.00541 0.00571 0.00843 0.00000 0.00000 -0.00003 AlT11 0.00722 0.00557 0.00550 0.00132 0.00000 0.00000 FeT11 0.00722 0.00557 0.00550 0.00132 0.00000 0.00000 SiT16 0.00449 0.00574 0.00469 0.00000 0.00000 0.00000 FeT16 0.00449 0.00574 0.00469 0.00000 0.00000 0.00000 SiT21 0.00444 0.00343 0.00491 0.00022 0.00000 0.00000 SiT23 0.00378 0.00431 0.00491 -0.00060 0.00000 0.00000 AlT26 0.00384 0.00477 0.00503 0.00057 0.00000 0.00000 O11 0.00994 0.00659 0.00690 -0.00061 0.00318 -0.00100 O16 0.00671 0.00907 0.00725 -0.00127 0.00034 -0.00338 O13 0.00818 0.00812 0.00699 0.00133 -0.00207 -0.00238 O26 0.00412 0.01461 0.01629 -0.00206 0.00000 0.00000 O21 0.00902 0.00926 0.01608 0.00543 0.00000 0.00000 O23 0.01252 0.00480 0.01581 -0.00288 0.00000 0.00000 WatCh1 0.35900 0.15400 0.07100 0.00000 0.00000 0.00000 NaCh2 0.05100 0.01600 0.04400 -0.00100 0.00000 0.00000