#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002516.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_9002516
_chemical_name 'Cordierite'
loop_
_publ_author_name
'Malcherek T'
'Domeneghetti M C'
'Tazzoli V'
'Ottolini L'
'McCammon C A'
'Carpenter M A'
_journal_name_full "American Mineralogist"
_journal_volume 86
_journal_year 2001
_journal_page_first 66
_journal_page_last 79
_publ_section_title
;
 Structural properties of ferromagnesian cordierites
 Sample: 1997-1 SE-India
;
_chemical_formula_sum 'Mg1.984 Fe.034 Al3.982 Si5 O18.54 Na.044 H2'
_cell_length_a 17.0568
_cell_length_b 9.7154
_cell_length_c 9.3472
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1548.959
_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
MgM   0.33743   0.00000   0.25000   0.99200   0.00625
FeM   0.33743   0.00000   0.25000   0.00800   0.00625
AlT11   0.25000   0.25000   0.25015   0.99100   0.00553
FeT11   0.25000   0.25000   0.25015   0.00900   0.00553
SiT16   0.00000   0.50000   0.25000   1.00000   0.00448
SiT21   0.19266   0.07779   0.00000   1.00000   0.00405
SiT23   0.13516  -0.23754   0.00000   1.00000   0.00414
AlT26   0.05091   0.30795   0.00000   1.00000   0.00440
O11   0.24743  -0.10271   0.35880   1.00000   0.00722
O16   0.06242  -0.41629   0.34900   1.00000   0.00711
O13  -0.17328  -0.31056   0.35852   1.00000   0.00731
O26   0.04309  -0.24797   0.00000   1.00000   0.01146
O21   0.12243   0.18464   0.00000   1.00000   0.01089
O23   0.16455  -0.07972   0.00000   1.00000   0.01064
WatCh1   0.00000   0.00000   0.25000   0.54000   0.19300
NaCh2   0.00000   0.00000   0.00000   0.04400   0.02900