#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005805.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9005805
_chemical_name 'Cordierite'
loop_
_publ_author_name
'Koepke J'
'Schulz H'
_journal_name_full "Physics and Chemistry of Minerals"
_journal_volume 13
_journal_year 1986
_journal_page_first 165
_journal_page_last 173
_publ_section_title
;
 Single crystal structure investigations under high-pressure of the
 mineral cordierite with an improved high-pressure cell
 Sample: P = 2.3 GPa
 Locality: Zabargad island, Red Sea
;
_chemical_formula_sum 'Mg2 Al4 Si5 O18'
_cell_length_a 16.990
_cell_length_b 9.680
_cell_length_c 9.293
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1528.357
_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_Uiso_or_equiv
Mg   0.16240   0.50000   0.25000   0.00840
Al11   0.25000   0.25000   0.25030   0.00750
Si16   0.00000   0.50000   0.25000   0.00810
Si21   0.19320   0.07690   0.00000   0.00600
Al26   0.05140   0.30760   0.00000   0.00630
Si23  -0.13500   0.23680   0.00000   0.00620
O11   0.24760   0.10220   0.14200   0.00920
O16   0.06250   0.41570   0.15030   0.00750
O13  -0.17340   0.31380   0.14150   0.01220
O21   0.12390   0.18250   0.00000   0.00990
O26  -0.04240   0.24620   0.00000   0.01290
O23  -0.16560   0.07780   0.00000   0.01320