data_global
_chemical_name_mineral 'Cordierite'
loop_
_publ_author_name
'Wallace J H'
'Wenk H R'
_journal_name_full 'American Mineralogist'
_journal_volume 65 
_journal_year 1980
_journal_page_first 96
_journal_page_last 111
_publ_section_title
;
 Structure variation in low cordierites
 Note: sample sci 624
;
_database_code_amcsd 0000766
_chemical_compound_source 'Debris SW Cap Brasca, Bergell Alps, Switzerland'
_chemical_formula_sum 'Mg1.632 Fe.26 Al3.879 Si4.833 O19.22 H1.22'
_cell_length_a 17.088
_cell_length_b 9.726
_cell_length_c 9.335
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1551.457
_exptl_crystal_density_diffrn      2.583
_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
Mg1   0.33751   0.00000   0.25000   0.81600
Fe1   0.33751   0.00000   0.25000   0.13000
Al1   0.25000   0.25000   0.25006   0.96400
Si2   0.00000   0.50000   0.25000   0.85300
Al2   0.00000   0.50000   0.25000   0.09500
Si3   0.19234   0.07781   0.00000   0.97000
Si4   0.13511  -0.23714   0.00000   0.97100
Al5   0.05059   0.30770   0.00000   0.92800
Si5   0.05059   0.30770   0.00000   0.04900
O1   0.24695  -0.10288   0.35874   1.00000
O2   0.06208  -0.41554   0.34870   1.00000
O3  -0.17323  -0.30982   0.35824   1.00000
O4   0.04334  -0.24887   0.00000   1.00000
O5   0.12219   0.18481   0.00000   1.00000
O6   0.16431  -0.07930   0.00000   1.00000
O-H1   0.00000   0.00000   0.25000   0.96000
O-H2   0.00000   0.00000   0.00000   0.26000
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
Mg1 0.00473 0.00522 0.00768 0.00000 0.00000 0.00037
Fe1 0.00473 0.00522 0.00768 0.00000 0.00000 0.00037
Al1 0.00607 0.00465 0.00490 0.00109 0.00000 0.00000
Si2 0.00296 0.00436 0.00331 0.00000 0.00000 0.00000
Al2 0.00296 0.00436 0.00331 0.00000 0.00000 0.00000
Si3 0.00444 0.00345 0.00446 0.00067 0.00000 0.00000
Si4 0.00370 0.00431 0.00459 -0.00076 0.00000 0.00000
Al5 0.00429 0.00522 0.00508 0.00051 0.00000 0.00000
Si5 0.00429 0.00522 0.00508 0.00051 0.00000 0.00000
O1 0.01095 0.00800 0.00702 -0.00152 0.00364 -0.00124
O2 0.00725 0.01030 0.00790 -0.00109 -0.00024 -0.00405
O3 0.00873 0.00958 0.00817 0.00126 -0.00186 -0.00244
O4 0.00518 0.01591 0.01550 -0.00227 0.00000 0.00000
O5 0.00962 0.01050 0.01691 0.00488 0.00000 0.00000
O6 0.01317 0.00565 0.01713 -0.00312 0.00000 0.00000
O-H1 3.25443 0.08626 0.33110 0.00000 0.00000 0.00000
O-H2 0.22189 0.10543 0.25164 0.00842 0.00000 0.00000