data_global
_chemical_name_mineral 'Cordierite'
loop_
_publ_author_name
'Armbruster T'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 12 
_journal_year 1985
_journal_page_first 233
_journal_page_last 245
_publ_section_title
;
 Ar, N2, CO2 in the structural cavities of cordierite,
 an optical and X-ray single-crystal study
 Sample: White Well Ar
;
_database_code_amcsd 0007365
_chemical_formula_sum 'O18 Al4 Si5 Mg1.91 Fe.09 Mn.01 Na.05 Ar.72'
_cell_length_a 17.069
_cell_length_b 9.718
_cell_length_c 9.355
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1551.775
_exptl_crystal_density_diffrn      2.646
_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
O11   0.24705  -0.10287   0.35888   1.00000
O16   0.06241  -0.41625   0.34866   1.00000
O13  -0.17361  -0.31026   0.35840   1.00000
O26   0.04355  -0.25090   0.00000   1.00000
O21   0.12229   0.18525   0.00000   1.00000
O23   0.16385  -0.07954   0.00000   1.00000
AlT11   0.25000   0.25000   0.24983   1.00000
SiT16   0.00000   0.50000   0.25000   1.00000
SiT21   0.19233   0.07803   0.00000   1.00000
SiT23  -0.13530   0.23787   0.00000   1.00000
AlT26   0.05080   0.30851   0.00000   1.00000
MgM   0.33733   0.00000   0.25000   0.95500
FeM   0.33733   0.00000   0.25000   0.04500
MnM   0.33733   0.00000   0.25000   0.00500
NaChO   0.00000   0.00000   0.25000   0.05000
ArCh1/4   0.00000   0.00000   0.25000   0.72000
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
O11 0.00980 0.00650 0.00720 -0.00100 0.00300 -0.00100
O16 0.00650 0.00880 0.00750 -0.00080 0.00000 -0.00300
O13 0.00850 0.00760 0.00740 0.00140 -0.00220 -0.00200
O26 0.00560 0.01350 0.01490 -0.00180 0.00000 0.00000
O21 0.00970 0.00920 0.01490 0.00450 0.00000 0.00000
O23 0.01330 0.00420 0.01570 -0.00320 0.00000 0.00000
AlT11 0.00790 0.00470 0.00530 0.00110 0.00000 0.00000
SiT16 0.00490 0.00560 0.00470 0.00000 0.00000 0.00000
SiT21 0.00540 0.00340 0.00540 0.00010 0.00000 0.00000
SiT23 0.00470 0.00420 0.00510 -0.00070 0.00000 0.00000
AlT26 0.00460 0.00470 0.00530 0.00060 0.00000 0.00000
MgM 0.00670 0.00630 0.00910 0.00000 0.00000 -0.00020
FeM 0.00670 0.00630 0.00910 0.00000 0.00000 -0.00020
MnM 0.00670 0.00630 0.00910 0.00000 0.00000 -0.00020
NaChO 0.05000 0.03000 0.09000 0.00000 0.00000 0.00000
ArCh1/4 0.09500 0.05100 0.04500 0.00000 0.00000 0.00000