data_global
_chemical_name_mineral 'Cordierite'
loop_
_publ_author_name
'Hochella M F'
'Brown G E'
'Ross F K'
'Gibbs G V'
_journal_name_full 'American Mineralogist'
_journal_volume 64 
_journal_year 1979
_journal_page_first 337
_journal_page_last 351
_publ_section_title
;
 High-temperature crystal chemistry of hydrous Mg- and Fe-cordierite
 White Well, T = 775 C
;
_database_code_amcsd 0000707
_chemical_formula_sum '(Mg1.91 Fe.09) Al4 Si5 O18'
_cell_length_a 17.149
_cell_length_b 9.759
_cell_length_c 9.352
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1565.124
_exptl_crystal_density_diffrn      2.495
_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
Mg   0.16260   0.50000   0.25000   0.95500
Fe   0.16260   0.50000   0.25000   0.04500
Al11   0.25000   0.25000   0.25000   1.00000
Si16   0.00000   0.50000   0.25000   1.00000
Si21   0.19170   0.07850   0.00000   1.00000
Al26   0.05000   0.30700   0.00000   1.00000
Si23  -0.13470   0.23630   0.00000   1.00000
O11   0.24680   0.10420   0.13980   1.00000
O16   0.06190   0.41590   0.15100   1.00000
O13  -0.17340   0.30820   0.14220   1.00000
O21   0.12160   0.18430   0.00000   1.00000
O26  -0.04380   0.24840   0.00000   1.00000
O23  -0.16300   0.07780   0.00000   1.00000
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
Mg 0.01624 0.01858 0.02902 0.00000 0.00000 0.00139
Fe 0.01624 0.01858 0.02902 0.00000 0.00000 0.00139
Al11 0.01862 0.01751 0.01901 0.00297 0.00000 0.00000
Si16 0.01311 0.01698 0.01515 0.00000 0.00000 0.00000
Si21 0.01296 0.01158 0.01653 0.00110 0.00000 0.00000
Al26 0.01356 0.01616 0.01693 0.00229 0.00000 0.00000
Si23 0.01281 0.01317 0.01506 -0.00339 0.00000 0.00000
O11 0.03233 0.01997 0.01994 0.00136 -0.00991 -0.00439
O16 0.01818 0.02654 0.02415 0.00195 -0.00593 -0.01082
O13 0.02667 0.02417 0.02432 -0.00466 0.00772 -0.00647
O21 0.02458 0.02967 0.05344 0.01840 0.00000 0.00000
O26 0.01818 0.04260 0.03877 -0.00119 0.00000 0.00000
O23 0.03620 0.01438 0.03766 -0.01314 0.00000 0.00000