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: 126231 Tanzania
;
_database_code_amcsd 0002606
_chemical_formula_sum 'Mg1.834 Fe.204 Al3.97 Si4.992 O18.764 Na.084 C.192 H.76'
_cell_length_a 17.0645
_cell_length_b 9.7281
_cell_length_c 9.3515
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1552.397
_exptl_crystal_density_diffrn      2.604
_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   0.33736   0.00000   0.25000   0.91700   0.00639
FeM   0.33736   0.00000   0.25000   0.08300   0.00639
AlT11   0.25000   0.25000   0.25020   0.98500   0.00585
FeT11   0.25000   0.25000   0.25020   0.01500   0.00585
SiT16   0.00000   0.50000   0.25000   0.99200   0.00492
FeT16   0.00000   0.50000   0.25000   0.00800   0.00492
SiT21   0.19258   0.07786   0.00000   1.00000   0.00421
SiT23   0.13513  -0.23727   0.00000   1.00000   0.00435
AlT26   0.05091   0.30800   0.00000   1.00000   0.00453
O11   0.24727  -0.10284   0.35879   1.00000   0.00783
O16   0.06223  -0.41618   0.34898   1.00000   0.00748
O13  -0.17310  -0.31010   0.35851   1.00000   0.00800
O26   0.04303  -0.24727   0.00000   1.00000   0.01158
O21   0.12227   0.18445   0.00000   1.00000   0.01156
O23   0.16444  -0.07961   0.00000   1.00000   0.01104
WatCh1   0.00000   0.00000   0.25000   0.38000   0.16100
NaCh2   0.00000   0.00000   0.00000   0.08400   0.03800
CCh1c   0.00000   0.00000   0.25000   0.19200   0.03100
OCh1x   0.05953   0.00000   0.25000   0.19200   0.08200
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 0.00543 0.00592 0.00782 0.00000 0.00000 -0.00016
FeM 0.00543 0.00592 0.00782 0.00000 0.00000 -0.00016
AlT11 0.00694 0.00534 0.00529 0.00145 0.00000 0.00000
FeT11 0.00694 0.00534 0.00529 0.00145 0.00000 0.00000
SiT16 0.00428 0.00596 0.00450 0.00000 0.00000 0.00000
FeT16 0.00428 0.00596 0.00450 0.00000 0.00000 0.00000
SiT21 0.00451 0.00355 0.00457 0.00025 0.00000 0.00000
SiT23 0.00395 0.00443 0.00467 -0.00055 0.00000 0.00000
AlT26 0.00388 0.00489 0.00481 0.00046 0.00000 0.00000
O11 0.00980 0.00692 0.00676 -0.00046 0.00322 -0.00096
O16 0.00634 0.00913 0.00696 -0.00072 0.00027 -0.00314
O13 0.00805 0.00859 0.00735 0.00131 -0.00190 -0.00240
O26 0.00442 0.01468 0.01565 -0.00236 0.00000 0.00000
O21 0.00934 0.00969 0.01564 0.00528 0.00000 0.00000
O23 0.01240 0.00450 0.01620 -0.00292 0.00000 0.00000
NaCh2 0.03800 0.02200 0.05300 0.00000 0.00000 0.00000