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: 1960728, Orijarvi, Finland
;
_database_code_amcsd 0002608
_chemical_formula_sum 'Mg1.604 Fe.424 Al3.972 Si5 O18.5 Na.046 H'
_cell_length_a 17.0994
_cell_length_b 9.7358
_cell_length_c 9.3360
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1554.223
_exptl_crystal_density_diffrn      2.600
_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   0.80200   0.00647
FeM   0.33750   0.00000   0.25000   0.19800   0.00647
AlT11   0.25000   0.25000   0.25009   0.98600   0.00589
FeT11   0.25000   0.25000   0.25009   0.01400   0.00589
SiT16   0.00000   0.50000   0.25000   1.00000   0.00483
SiT21   0.19217   0.07803   0.00000   1.00000   0.00431
SiT23   0.13511  -0.23680   0.00000   1.00000   0.00436
AlT26   0.05062   0.30761   0.00000   1.00000   0.00460
O11   0.24680  -0.10308   0.35863   1.00000   0.00768
O16   0.06207  -0.41588   0.34889   1.00000   0.00767
O13  -0.17331  -0.30949   0.35834   1.00000   0.00768
O26   0.04329  -0.24819   0.00000   1.00000   0.01161
O21   0.12211   0.18473   0.00000   1.00000   0.01148
O23   0.16429  -0.07925   0.00000   1.00000   0.01124
WatCh1   0.00000   0.00000   0.25000   0.50000   0.24600
NaCh2   0.00000   0.00000   0.00000   0.04600   0.03900
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 0.00534 0.00578 0.00830 0.00000 0.00000 -0.00006
FeM 0.00534 0.00578 0.00830 0.00000 0.00000 -0.00006
AlT11 0.00701 0.00551 0.00516 0.00129 0.00000 0.00000
FeT11 0.00701 0.00551 0.00516 0.00129 0.00000 0.00000
SiT16 0.00427 0.00568 0.00456 0.00000 0.00000 0.00000
SiT21 0.00448 0.00364 0.00481 0.00034 0.00000 0.00000
SiT23 0.00385 0.00446 0.00477 -0.00062 0.00000 0.00000
AlT26 0.00390 0.00473 0.00518 0.00048 0.00000 0.00000
O11 0.00961 0.00668 0.00675 -0.00057 0.00306 -0.00109
O16 0.00641 0.00900 0.00759 -0.00123 0.00053 -0.00326
O13 0.00797 0.00850 0.00659 0.00141 -0.00186 -0.00213
O26 0.00400 0.01531 0.01552 -0.00219 0.00000 0.00000
O21 0.00873 0.00923 0.01647 0.00520 0.00000 0.00000
O23 0.01282 0.00443 0.01646 -0.00260 0.00000 0.00000
WatCh1 0.59900 0.09400 0.04500 0.00000 0.00000 0.00000
NaCh2 0.02700 0.03200 0.05800 0.00700 0.00000 0.00000