data_global _chemical_name_mineral 'Cordierite' loop_ _publ_author_name 'Cohen J P' 'Ross F K' 'Gibbs G V' _journal_name_full 'American Mineralogist' _journal_volume 62 _journal_year 1977 _journal_page_first 67 _journal_page_last 78 _publ_section_title ; An X-Ray and neutron diffraction study of hydrous low cordierite ; _database_code_amcsd 0000556 _chemical_formula_sum '(Si5.031 Al3.969) (Mg1.91 Fe.08 Mn.01) Na.05 K.02 Ca.02 H1.12 O18.56' _cell_length_a 17.079 _cell_length_b 9.730 _cell_length_c 9.356 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1554.768 _exptl_crystal_density_diffrn 2.566 _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 Si11 0.25000 0.25000 0.25070 0.55900 ? Al11 0.25000 0.25000 0.25070 0.44100 ? Si16 0.00000 0.50000 0.25000 0.55900 ? Al16 0.00000 0.50000 0.25000 0.44100 ? Si21 0.19260 0.07800 0.00000 0.55900 ? Al21 0.19260 0.07800 0.00000 0.44100 ? Si26 0.05080 0.30810 0.00000 0.55900 ? Al26 0.05080 0.30810 0.00000 0.44100 ? Si23 -0.13520 0.23720 0.00000 0.55900 ? Al23 -0.13520 0.23720 0.00000 0.44100 ? Mg 0.16260 0.50000 0.25000 0.95500 ? Fe 0.16260 0.50000 0.25000 0.04000 ? Mn 0.16260 0.50000 0.25000 0.00500 ? Na 0.00000 0.00000 0.00000 0.05000 0.06333 K 0.00000 0.00000 0.00000 0.02000 0.06333 Ca 0.00000 0.00000 0.00000 0.02000 0.06333 H1 -0.00290 -0.04120 0.23970 0.14000 0.06333 H2 0.01740 0.08330 0.30500 0.14000 0.06333 O11 0.24730 0.10280 0.14220 1.00000 ? O16 0.06230 0.41610 0.15120 1.00000 ? O13 -0.17330 0.31030 0.14160 1.00000 ? O21 0.12220 0.18440 0.00000 1.00000 ? O26 -0.04320 0.24780 0.00000 1.00000 ? O23 -0.16460 0.07960 0.00000 1.00000 ? OW 0.02700 0.00000 0.25000 0.28000 0.12412 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 Si11 0.00768 0.00523 0.00656 0.00109 0.00000 0.00000 Al11 0.00768 0.00523 0.00656 0.00109 0.00000 0.00000 Si16 0.00635 0.00969 0.00772 0.00000 0.00000 0.00000 Al16 0.00635 0.00969 0.00772 0.00000 0.00000 0.00000 Si21 0.00488 0.00499 0.00891 0.00025 0.00000 0.00000 Al21 0.00488 0.00499 0.00891 0.00025 0.00000 0.00000 Si26 0.00576 0.00595 0.00683 0.00017 0.00000 0.00000 Al26 0.00576 0.00595 0.00683 0.00017 0.00000 0.00000 Si23 0.00562 0.00571 0.00745 0.00076 0.00000 0.00000 Al23 0.00562 0.00571 0.00745 0.00076 0.00000 0.00000 Mg 0.00562 0.00791 0.00940 0.00000 0.00000 0.00000 Fe 0.00562 0.00791 0.00940 0.00000 0.00000 0.00000 Mn 0.00562 0.00791 0.00940 0.00000 0.00000 0.00023 O11 0.01079 0.00767 0.01122 0.00084 -0.00259 -0.00060 O16 0.00768 0.01026 0.01024 0.00076 -0.00057 -0.00346 O13 0.00961 0.00988 0.01024 -0.00143 0.00219 -0.00281 O21 0.01034 0.01161 0.01938 0.00514 0.00000 0.00000 O26 0.00606 0.01612 0.01818 -0.00219 0.00000 0.00000 O23 0.01374 0.00638 0.01867 -0.00269 0.00000 0.00000