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, T = 900 C, t = 24h
;
_database_code_amcsd 0002612
_chemical_formula_sum 'Mg1.816 Fe.208 Al3.976 Si5 O18 Na.086'
_cell_length_a 17.089
_cell_length_b 9.729
_cell_length_c 9.350
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1554.521
_exptl_crystal_density_diffrn      2.536
_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   0.33750   0.00000   0.25000   0.90800   0.00648
FeM   0.33750   0.00000   0.25000   0.09200   0.00648
AlT11   0.25000   0.25000   0.25014   0.98800   0.00580
FeT11   0.25000   0.25000   0.25014   0.01200   0.00580
SiT16   0.00000   0.50000   0.25000   1.00000   0.00468
SiT21   0.19241   0.07782   0.00000   1.00000   0.00419
SiT23   0.13509  -0.23748   0.00000   1.00000   0.00427
AlT26   0.05078   0.30787   0.00000   1.00000   0.00452
O11   0.24706  -0.10275   0.35876   1.00000   0.00777
O16   0.06229  -0.41607   0.34893   1.00000   0.00745
O13  -0.17325  -0.31013   0.35842   1.00000   0.00779
O26   0.04320  -0.24863   0.00000   1.00000   0.01139
O21   0.12219   0.18450   0.00000   1.00000   0.01137
O23   0.16419  -0.07953   0.00000   1.00000   0.01107
NaCh2   0.00000   0.00000   0.00000   0.08600   0.06600
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 0.00540 0.00611 0.00793 0.00000 0.00000 -0.00006
FeM 0.00540 0.00611 0.00793 0.00000 0.00000 -0.00006
AlT11 0.00670 0.00535 0.00535 0.00131 0.00000 0.00000
FeT11 0.00670 0.00535 0.00535 0.00131 0.00000 0.00000
SiT16 0.00400 0.00567 0.00437 0.00000 0.00000 0.00000
SiT21 0.00441 0.00368 0.00449 0.00023 0.00000 0.00000
SiT23 0.00377 0.00443 0.00460 -0.00061 0.00000 0.00000
AlT26 0.00375 0.00500 0.00479 0.00057 0.00000 0.00000
O11 0.00958 0.00707 0.00666 -0.00055 0.00302 -0.00077
O16 0.00620 0.00912 0.00703 -0.00095 0.00024 -0.00316
O13 0.00792 0.00847 0.00698 0.00127 -0.00208 -0.00236
O26 0.00439 0.01494 0.01484 -0.00221 0.00000 0.00000
O21 0.00940 0.00971 0.01499 0.00563 0.00000 0.00000
O23 0.01253 0.00486 0.01582 -0.00307 0.00000 0.00000
NaCh2 0.05100 0.01900 0.12800 0.00000 0.00000 0.00000