data_9000145
_chemical_name 'Cordierite'
loop_
_publ_author_name
'Gibbs G V'
_journal_name_full "American Mineralogist"
_journal_volume 51
_journal_year 1966
_journal_page_first 1068
_journal_page_last 1087
_publ_section_title
;
 The polymorphism of cordierite I: The crystal structure of low cordierite
;
_chemical_formula_sum 'Al4 Si5 (Mg1.54 Fe.46) O18.48 Li.12 Na.1 Ca.03 K.02 H2'
_cell_length_a 17.083
_cell_length_b 9.738
_cell_length_c 9.335
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1552.917
_symmetry_space_group_name_H-M 'C c c m'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Al1   0.25000   0.25000   0.25000   1.00000   0.00279
Si2   0.00000   0.50000   0.25000   0.92000   0.00253
Al2   0.00000   0.50000   0.25000   0.08000   0.00253
Si3   0.19230   0.07810   0.00000   1.00000   0.00329
Si4   0.13510  -0.23720   0.00000   1.00000   0.00291
Al5   0.05060   0.30840   0.00000   0.96000   0.00317
Si5   0.05060   0.30840   0.00000   0.04000   0.00317
Mg   0.33740   0.00000   0.25000   0.77000   0.00291
Fe   0.33740   0.00000   0.25000   0.23000   0.00291
O1   0.24660  -0.10400   0.35910   1.00000   0.00342
O2   0.06160  -0.41670   0.34940   1.00000   0.00304
O3  -0.17300  -0.30910   0.35830   1.00000   0.00393
O4   0.04340  -0.24530   0.00000   1.00000   0.00317
O5   0.12240   0.18480   0.00000   1.00000   0.00823
O6   0.16390  -0.07880   0.00000   1.00000   0.00684
Wat   0.00000   0.00000   0.25000   0.48000   0.09030
Li   0.00000   0.00000   0.25000   0.12000   0.09030
Na   0.00000   0.00000   0.25000   0.10000   0.09030
Ca   0.00000   0.00000   0.25000   0.03000   0.09030
K   0.00000   0.00000   0.25000   0.02000   0.09030