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: 85131, Mt Bity, Madagaskar
;
_database_code_amcsd 0002609
_chemical_formula_sum 'Mg1.614 Fe.432 Al3.962 Si4.992 O18.55 Na.056 H1.1'
_cell_length_a 17.0987
_cell_length_b 9.7388
_cell_length_c 9.3347
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1554.422
_exptl_crystal_density_diffrn      2.605
_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   0.33746   0.00000   0.25000   0.80700   0.00652
FeM   0.33746   0.00000   0.25000   0.19300   0.00652
AlT11   0.25000   0.25000   0.25009   0.98100   0.00610
FeT11   0.25000   0.25000   0.25009   0.01900   0.00610
SiT16   0.00000   0.50000   0.25000   0.99200   0.00498
FeT16   0.00000   0.50000   0.25000   0.00800   0.00498
SiT21   0.19213   0.07807   0.00000   1.00000   0.00426
SiT23   0.13511  -0.23686   0.00000   1.00000   0.00433
AlT26   0.05064   0.30764   0.00000   1.00000   0.00455
O11   0.24677  -0.10308   0.35865   1.00000   0.00781
O16   0.06208  -0.41594   0.34889   1.00000   0.00768
O13  -0.17326  -0.30947   0.35835   1.00000   0.00776
O26   0.04321  -0.24788   0.00000   1.00000   0.01167
O21   0.12197   0.18448   0.00000   1.00000   0.01145
O23   0.16417  -0.07919   0.00000   1.00000   0.01105
WatCh1   0.00000   0.00000   0.25000   0.55000   0.19500
NaCh2   0.00000   0.00000   0.00000   0.05600   0.03700
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 0.00541 0.00571 0.00843 0.00000 0.00000 -0.00003
FeM 0.00541 0.00571 0.00843 0.00000 0.00000 -0.00003
AlT11 0.00722 0.00557 0.00550 0.00132 0.00000 0.00000
FeT11 0.00722 0.00557 0.00550 0.00132 0.00000 0.00000
SiT16 0.00449 0.00574 0.00469 0.00000 0.00000 0.00000
FeT16 0.00449 0.00574 0.00469 0.00000 0.00000 0.00000
SiT21 0.00444 0.00343 0.00491 0.00022 0.00000 0.00000
SiT23 0.00378 0.00431 0.00491 -0.00060 0.00000 0.00000
AlT26 0.00384 0.00477 0.00503 0.00057 0.00000 0.00000
O11 0.00994 0.00659 0.00690 -0.00061 0.00318 -0.00100
O16 0.00671 0.00907 0.00725 -0.00127 0.00034 -0.00338
O13 0.00818 0.00812 0.00699 0.00133 -0.00207 -0.00238
O26 0.00412 0.01461 0.01629 -0.00206 0.00000 0.00000
O21 0.00902 0.00926 0.01608 0.00543 0.00000 0.00000
O23 0.01252 0.00480 0.01581 -0.00288 0.00000 0.00000
WatCh1 0.35900 0.15400 0.07100 0.00000 0.00000 0.00000
NaCh2 0.05100 0.01600 0.04400 -0.00100 0.00000 0.00000