data_global
_chemical_name_mineral 'Cordierite'
loop_
_publ_author_name
'Geiger C A'
'Armbruster T'
'Khomenko V'
'Quartieri S'
_journal_name_full 'American Mineralogist'
_journal_volume 85 
_journal_year 2000
_journal_page_first 1255
_journal_page_last 1264
_publ_section_title
;
 Cordierite I: The coordination of Fe2+
 Sample: 42/IA
;
_database_code_amcsd 0002494
_chemical_formula_sum 'Si5 Al4 (Mg1.836 Fe.164) Na.07 O18.59'
_cell_length_a 17.069
_cell_length_b 9.725
_cell_length_c 9.347
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1551.565
_exptl_crystal_density_diffrn      2.574
_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
Si21   0.30750   0.07774   0.00000   1.00000
Si16   0.00000   0.00000   0.25000   1.00000
Si23   0.36487   0.23734   0.50000   1.00000
Al26   0.05089   0.19218   0.00000   1.00000
Al11   0.25000   0.25000   0.25025   1.00000
MgM   0.16262   0.00000   0.25000   0.91800
FeM   0.16262   0.00000   0.25000   0.08200
NaCH0   0.50000   0.00000   0.50000   0.07000
OCH1   0.50000   0.00000   0.25000   0.31000
OCH2   0.44600   0.00000   0.25000   0.14000
O16   0.06224   0.08396   0.15096   1.00000
O11   0.25279   0.10285   0.14133   1.00000
O13   0.32678   0.31029   0.64167   1.00000
O21   0.37769   0.18440   0.00000   1.00000
O26   0.45701   0.24750   0.50000   1.00000
O23   0.33551  -0.07960   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
Si21 0.00472 0.00409 0.00520 -0.00028 0.00000 0.00000
Si16 0.00470 0.00630 0.00470 0.00000 0.00000 0.00000
Si23 0.00417 0.00500 0.00540 -0.00073 0.00000 0.00000
Al26 0.00420 0.00550 0.00530 -0.00066 0.00000 0.00000
Al11 0.00690 0.00530 0.00570 -0.00143 0.00000 0.00000
MgM 0.00550 0.00610 0.00790 0.00000 0.00000 0.00004
FeM 0.00550 0.00610 0.00790 0.00000 0.00000 0.00004
NaCH0 0.02378 0.02869 0.04720 0.00059 0.00000 0.00000
O16 0.00670 0.00980 0.00740 -0.00130 0.00010 0.00360
O11 0.01030 0.00720 0.00720 -0.00070 0.00330 -0.00090
O13 0.00840 0.00930 0.00760 -0.00140 0.00170 -0.00230
O21 0.00970 0.01020 0.01530 -0.00560 0.00000 0.00000
O26 0.00500 0.01590 0.01580 -0.00200 0.00000 0.00000
O23 0.01320 0.00490 0.01610 0.00290 0.00000 0.00000