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, T = 900 C, t = 24 h
;
_database_code_amcsd 0002615
_chemical_formula_sum 'Mg1.582 Fe.453 Al3.974 Si4.991 O18 Na.038'
_cell_length_a 17.119
_cell_length_b 9.735
_cell_length_c 9.334
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1555.543
_exptl_crystal_density_diffrn      2.562
_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   0.33754   0.00000   0.25000   0.79100   0.00663
FeM   0.33754   0.00000   0.25000   0.20900   0.00663
AlT11   0.25000   0.25000   0.25007   0.98700   0.00593
FeT11   0.25000   0.25000   0.25007   0.01300   0.00593
SiT16   0.00000   0.50000   0.25000   0.99100   0.00523
FeT16   0.00000   0.50000   0.25000   0.00900   0.00523
SiT21   0.19202   0.07809   0.00000   1.00000   0.00431
SiT23   0.13506  -0.23699   0.00000   1.00000   0.00444
AlT26   0.05054   0.30758   0.00000   1.00000   0.00462
O11   0.24663  -0.10297   0.35844   1.00000   0.00778
O16   0.06210  -0.41591   0.34889   1.00000   0.00770
O13  -0.17335  -0.30947   0.35823   1.00000   0.00771
O26   0.04345  -0.24929   0.00000   1.00000   0.01136
O21   0.12212   0.18498   0.00000   1.00000   0.01142
O23   0.16405  -0.07917   0.00000   1.00000   0.01092
NaCh2   0.00000   0.00000   0.00000   0.03800   0.18200
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 0.00556 0.00583 0.00851 0.00000 0.00000 -0.00010
FeM 0.00556 0.00583 0.00851 0.00000 0.00000 -0.00010
AlT11 0.00688 0.00542 0.00548 0.00128 0.00000 0.00000
FeT11 0.00688 0.00542 0.00548 0.00128 0.00000 0.00000
SiT16 0.00490 0.00585 0.00493 0.00000 0.00000 0.00000
FeT16 0.00490 0.00585 0.00493 0.00000 0.00000 0.00000
SiT21 0.00439 0.00352 0.00503 0.00019 0.00000 0.00000
SiT23 0.00396 0.00431 0.00505 -0.00065 0.00000 0.00000
AlT26 0.00387 0.00491 0.00507 0.00072 0.00000 0.00000
O11 0.00960 0.00669 0.00705 -0.00072 0.00285 -0.00101
O16 0.00663 0.00902 0.00745 -0.00124 0.00022 -0.00324
O13 0.00786 0.00809 0.00720 0.00128 -0.00202 -0.00224
O26 0.00438 0.01457 0.01513 -0.00166 0.00000 0.00000
O21 0.00891 0.00956 0.01579 0.00495 0.00000 0.00000
O23 0.01250 0.00473 0.01554 -0.00299 0.00000 0.00000
NaCh2 0.07700 0.02700 0.44400 -0.00500 0.00000 0.00000