#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005803.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_9005803
_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 = 0.9 GPa
 Locality: Zabargad island, Red Sea
;
_chemical_formula_sum 'Mg2 Al4 Si5 O18'
_cell_length_a 17.040
_cell_length_b 9.702
_cell_length_c 9.320
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1540.802
_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   0.16260   0.50000   0.25000   0.00690
Al11   0.25000   0.25000   0.25000   0.00740
Si16   0.00000   0.50000   0.25000   0.00630
Si21   0.19300   0.07800   0.00000   0.00550
Al26   0.05090   0.30770   0.00000   0.00580
Si23  -0.13520   0.23780   0.00000   0.00640
O11   0.24730   0.10320   0.14160   0.00710
O16   0.06180   0.41580   0.15110   0.00840
O13  -0.17330   0.31100   0.14100   0.00670
O21   0.12280   0.18420   0.00000   0.01000
O26  -0.04310   0.24850   0.00000   0.01160
O23  -0.16500   0.07950   0.00000   0.00990