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: g13994, Dolny Bory , Czech Republic
;
_database_code_amcsd 0002610
_chemical_formula_sum 'Mg.154 Fe1.813 Li.07 Al3.968 Si4.995 O18.43 Na.162 H.86'
_cell_length_a 17.2232
_cell_length_b 9.8261
_cell_length_c 9.2989
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1573.717
_exptl_crystal_density_diffrn      2.753
_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   0.33698   0.00000   0.25000   0.07700   0.00741
FeM   0.33698   0.00000   0.25000   0.88800   0.00741
LiM   0.33698   0.00000   0.25000   0.03500   0.00741
AlT11   0.25000   0.25000   0.25007   0.98400   0.00688
FeT11   0.25000   0.25000   0.25007   0.01600   0.00688
SiT16   0.00000   0.50000   0.25000   0.99500   0.00582
FeT16   0.00000   0.50000   0.25000   0.00500   0.00582
SiT21   0.19001   0.07904   0.00000   1.00000   0.00482
SiT23   0.13473  -0.23442   0.00000   1.00000   0.00499
AlT26   0.04982   0.30742   0.00000   1.00000   0.00521
O11   0.24419  -0.10452   0.35794   1.00000   0.00863
O16   0.06097  -0.41472   0.34885   1.00000   0.00876
O13  -0.17306  -0.30569   0.35772   1.00000   0.00890
O26   0.04325  -0.24690   0.00000   1.00000   0.01325
O21   0.11960   0.18377   0.00000   1.00000   0.01295
O23   0.16227  -0.07697   0.00000   1.00000   0.01283
WatCh1   0.00000   0.00000   0.25000   0.43000   0.07800
NaCh2   0.00000   0.00000   0.00000   0.16200   0.02600
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 0.00592 0.00639 0.00991 0.00000 0.00000 -0.00012
FeM 0.00592 0.00639 0.00991 0.00000 0.00000 -0.00012
LiM 0.00592 0.00639 0.00991 0.00000 0.00000 -0.00012
AlT11 0.00783 0.00652 0.00628 0.00109 0.00000 0.00000
FeT11 0.00783 0.00652 0.00628 0.00109 0.00000 0.00000
SiT16 0.00516 0.00662 0.00569 0.00000 0.00000 0.00000
FeT16 0.00516 0.00662 0.00569 0.00000 0.00000 0.00000
SiT21 0.00496 0.00369 0.00579 0.00020 0.00000 0.00000
SiT23 0.00413 0.00495 0.00588 -0.00057 0.00000 0.00000
AlT26 0.00422 0.00550 0.00592 0.00074 0.00000 0.00000
O11 0.01087 0.00734 0.00767 -0.00070 0.00259 -0.00097
O16 0.00756 0.01013 0.00860 -0.00108 0.00066 -0.00378
O13 0.00898 0.00967 0.00805 0.00173 -0.00210 -0.00195
O26 0.00514 0.01685 0.01778 -0.00246 0.00000 0.00000
O21 0.01000 0.01069 0.01817 0.00668 0.00000 0.00000
O23 0.01451 0.00531 0.01868 -0.00327 0.00000 0.00000
WatCh1 0.12900 0.05700 0.04700 0.00000 0.00000 0.00000
NaCh2 0.02700 0.01100 0.04000 -0.00100 0.00000 0.00000