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: 94755, Tincup mining district, Wyoming, T = 900 C, t = 24 h ; _database_code_amcsd 0002617 _chemical_formula_sum 'Mg1.542 Fe.588 Al3.99 Si5 O18 Na.066' _cell_length_a 17.138 _cell_length_b 9.751 _cell_length_c 9.328 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1558.827 _exptl_crystal_density_diffrn 2.590 _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 0.33744 0.00000 0.25000 0.77100 0.00715 FeM 0.33744 0.00000 0.25000 0.28900 0.00715 AlT11 0.25000 0.25000 0.25005 0.99500 0.00635 FeT11 0.25000 0.25000 0.25005 0.00500 0.00635 SiT16 0.00000 0.50000 0.25000 1.00000 0.00564 SiT21 0.19161 0.07831 0.00000 1.00000 0.00500 SiT23 0.13501 -0.23658 0.00000 1.00000 0.00502 AlT26 0.05037 0.30762 0.00000 1.00000 0.00522 O11 0.24616 -0.10329 0.35854 1.00000 0.00859 O16 0.06194 -0.41571 0.34891 1.00000 0.00862 O13 -0.17335 -0.30888 0.35817 1.00000 0.00872 O26 0.04342 -0.24893 0.00000 1.00000 0.01254 O21 0.12162 0.18469 0.00000 1.00000 0.01254 O23 0.16365 -0.07891 0.00000 1.00000 0.01218 NaCh2 0.00000 0.00000 0.00000 0.06600 0.09000 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 0.00625 0.00679 0.00841 0.00000 0.00000 -0.00009 FeM 0.00625 0.00679 0.00841 0.00000 0.00000 -0.00009 AlT11 0.00786 0.00628 0.00490 0.00114 0.00000 0.00000 FeT11 0.00786 0.00628 0.00490 0.00114 0.00000 0.00000 SiT16 0.00577 0.00657 0.00457 0.00000 0.00000 0.00000 SiT21 0.00566 0.00460 0.00475 0.00019 0.00000 0.00000 SiT23 0.00486 0.00543 0.00478 -0.00056 0.00000 0.00000 AlT26 0.00482 0.00606 0.00480 0.00071 0.00000 0.00000 O11 0.01134 0.00811 0.00633 -0.00059 0.00313 -0.00083 O16 0.00815 0.01047 0.00725 -0.00150 0.00079 -0.00322 O13 0.00940 0.00972 0.00702 0.00136 -0.00228 -0.00231 O26 0.00600 0.01612 0.01551 -0.00234 0.00000 0.00000 O21 0.01122 0.01063 0.01578 0.00557 0.00000 0.00000 O23 0.01390 0.00634 0.01630 -0.00294 0.00000 0.00000 NaCh2 0.04100 0.01600 0.21200 0.00700 0.00000 0.00000