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: DA-1
;
_database_code_amcsd 0002493
_chemical_formula_sum 'Si5 Al4 (Mg1.86 Fe.14) Na.09 O18.58'
_cell_length_a 17.072
_cell_length_b 9.727
_cell_length_c 9.351
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1552.821
_exptl_crystal_density_diffrn      2.570
_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   0.30746   0.07779   0.00000   1.00000
Si16   0.00000   0.00000   0.25000   1.00000
Si23   0.36489   0.23727   0.50000   1.00000
Al26   0.05090   0.19210   0.00000   1.00000
Al11   0.25000   0.25000   0.25021   1.00000
MgM   0.16264   0.00000   0.25000   0.93000
FeM   0.16264   0.00000   0.25000   0.07000
NaCH0   0.50000   0.00000   0.50000   0.09000
OCH1   0.50000   0.00000   0.25000   0.32000
OCH2   0.44000   0.00000   0.25000   0.13000
O16   0.06225   0.08387   0.15115   1.00000
O11   0.25272   0.10278   0.14116   1.00000
O13   0.32679   0.31010   0.64158   1.00000
O21   0.37770   0.18450   0.00000   1.00000
O26   0.45699   0.24750   0.50000   1.00000
O23   0.33548  -0.07930   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 0.00500 0.00390 0.00560 -0.00013 0.00000 0.00000
Si16 0.00510 0.00590 0.00510 0.00000 0.00000 0.00000
Si23 0.00470 0.00440 0.00560 -0.00059 0.00000 0.00000
Al26 0.00450 0.00520 0.00590 -0.00040 0.00000 0.00000
Al11 0.00720 0.00520 0.00610 -0.00169 0.00000 0.00000
MgM 0.00560 0.00590 0.00810 0.00000 0.00000 0.00000
FeM 0.00560 0.00590 0.00810 0.00000 0.00000 0.00000
NaCH0 0.04118 0.02585 0.06546 0.00249 0.00000 0.00000
OCH1 0.09435 0.09373 0.04963 0.00000 0.00000 0.00000
OCH2 0.04386 0.13710 0.03721 0.00000 0.00000 -0.01927
O16 0.00680 0.00910 0.00820 -0.00100 -0.00010 0.00310
O11 0.01040 0.00670 0.00750 -0.00050 0.00360 -0.00070
O13 0.00900 0.00880 0.00820 -0.00130 0.00200 -0.00290
O21 0.00970 0.01000 0.01710 -0.00630 0.00000 0.00000
O26 0.00500 0.01580 0.01660 -0.00250 0.00000 0.00000
O23 0.01330 0.00480 0.01730 0.00290 0.00000 0.00000