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: Great Bear Lake, T = 900 C, t = 24 h
;
_database_code_amcsd 0002616
_chemical_formula_sum 'Mg1.45 Fe.581 Al3.976 Si4.993 O18 Na.021'
_cell_length_a 17.132
_cell_length_b 9.744
_cell_length_c 9.330
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1557.496
_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
_atom_site_U_iso_or_equiv
MgM   0.33757   0.00000   0.25000   0.72500   0.00649
FeM   0.33757   0.00000   0.25000   0.27500   0.00649
AlT11   0.25000   0.25000   0.25004   0.98800   0.00593
FeT11   0.25000   0.25000   0.25004   0.01200   0.00593
SiT16   0.00000   0.50000   0.25000   0.99300   0.00510
FeT16   0.00000   0.50000   0.25000   0.00700   0.00510
SiT21   0.19183   0.07819   0.00000   1.00000   0.00423
SiT23   0.13504  -0.23677   0.00000   1.00000   0.00446
AlT26   0.05045   0.30737   0.00000   1.00000   0.00460
O11   0.24639  -0.10313   0.35861   1.00000   0.00783
O16   0.06192  -0.41565   0.34876   1.00000   0.00779
O13  -0.17331  -0.30913   0.35824   1.00000   0.00780
O26   0.04336  -0.24898   0.00000   1.00000   0.01162
O21   0.12195   0.18469   0.00000   1.00000   0.01120
O23   0.16388  -0.07901   0.00000   1.00000   0.01115
NaCh2   0.00000   0.00000   0.00000   0.02100   0.01100
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 0.00515 0.00551 0.00881 0.00000 0.00000 -0.00006
FeM 0.00515 0.00551 0.00881 0.00000 0.00000 -0.00006
AlT11 0.00693 0.00521 0.00566 0.00117 0.00000 0.00000
FeT11 0.00693 0.00521 0.00566 0.00117 0.00000 0.00000
SiT16 0.00474 0.00554 0.00501 0.00000 0.00000 0.00000
FeT16 0.00474 0.00554 0.00501 0.00000 0.00000 0.00000
SiT21 0.00443 0.00322 0.00504 0.00031 0.00000 0.00000
SiT23 0.00403 0.00415 0.00521 -0.00069 0.00000 0.00000
AlT26 0.00392 0.00449 0.00540 0.00048 0.00000 0.00000
O11 0.00972 0.00645 0.00731 -0.00039 0.00326 -0.00093
O16 0.00646 0.00872 0.00818 -0.00131 0.00060 -0.00348
O13 0.00758 0.00855 0.00725 0.00154 -0.00208 -0.00238
O26 0.00402 0.01466 0.01619 -0.00202 0.00000 0.00000
O21 0.00861 0.00958 0.01542 0.00524 0.00000 0.00000
O23 0.01249 0.00477 0.01618 -0.00287 0.00000 0.00000