data_global
_chemical_name_mineral 'Cordierite'
loop_
_publ_author_name
'Armbruster T'
_journal_name_full 'American Mineralogist'
_journal_volume 71 
_journal_year 1986
_journal_page_first 746
_journal_page_last 757
_publ_section_title
;
 Role of Na in the structure of low-cordierite: A single-crystal X-ray study
 Sample: from Haddam, Connecticut, USA
;
_database_code_amcsd 0001020
_chemical_formula_sum 'O18.75 Al3.84 Be.16 Si5 (Mg1.32 Fe.58 Li.1) Na.27 H.75'
_cell_length_a 17.054
_cell_length_b 9.759
_cell_length_c 9.324
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1551.793
_exptl_crystal_density_diffrn      2.644
_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   0.24592  -0.10438   0.35850   1.00000
O16   0.06187  -0.41574   0.34885   1.00000
O13  -0.17331  -0.30849   0.35792   1.00000
O26   0.04315  -0.24496   0.00000   1.00000
O21   0.11975   0.18176   0.00000   1.00000
O23   0.16350  -0.07847   0.00000   1.00000
Al11   0.25000   0.25000   0.25011   0.92000
Be11   0.25000   0.25000   0.25011   0.08000
Si16   0.00000   0.50000   0.25000   1.00000
Si21   0.19179   0.07870   0.00000   1.00000
Si23  -0.13563   0.23635   0.00000   1.00000
Al26   0.05052   0.30856   0.00000   1.00000
Mg   0.33622   0.00000   0.25000   0.66000
Fe   0.33622   0.00000   0.25000   0.29000
Li   0.33622   0.00000   0.25000   0.05000
NaCh0   0.00000   0.00000   0.00000   0.27000
O-HCh1   0.00000   0.00000   0.25000   0.75000
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 0.01200 0.00800 0.00830 -0.00040 0.00350 -0.00070
O16 0.00830 0.01020 0.00810 -0.00140 0.00030 -0.00320
O13 0.00940 0.01020 0.00860 0.00110 -0.00170 -0.00280
O26 0.00620 0.01430 0.01900 -0.00160 0.00000 0.00000
O21 0.01210 0.01140 0.01810 0.00610 0.00000 0.00000
O23 0.01440 0.00590 0.01850 -0.00350 0.00000 0.00000
Al11 0.00760 0.00610 0.00610 0.00100 0.00000 0.00000
Be11 0.00760 0.00610 0.00610 0.00100 0.00000 0.00000
Si16 0.00600 0.00660 0.00480 0.00000 0.00000 0.00000
Si21 0.00550 0.00450 0.00610 0.00020 0.00000 0.00000
Si23 0.00510 0.00520 0.00630 -0.00060 0.00000 0.00000
Al26 0.00510 0.00580 0.00570 0.00060 0.00000 0.00000
Mg 0.00670 0.00930 0.00850 0.00000 0.00000 0.00000
Fe 0.00670 0.00930 0.00850 0.00000 0.00000 0.00000
Li 0.00670 0.00930 0.00850 0.00000 0.00000 0.00000
NaCh0 0.02400 0.01100 0.04100 0.00100 0.00000 0.00000
O-HCh1 0.12800 0.06600 0.04900 0.00000 0.00000 0.00000