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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009665.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_9009665
_chemical_name 'Illite'
loop_
_publ_author_name
'Gualtieri A F'
_journal_name_full "Journal of Applied Crystallography"
_journal_volume 33
_journal_year 2000
_journal_page_first 267
_journal_page_last 278
_publ_section_title
;
 Accuracy of XRPD QPA using the combined Rietveld-RIR method
 Locality: Napoli, Italy
;
_chemical_formula_sum 'K Al4 Si2 O12'
_cell_length_a 5.2226
_cell_length_b 9.0183
_cell_length_c 20.143
_cell_angle_alpha 90
_cell_angle_beta 95.665
_cell_angle_gamma 90
_cell_volume 944.081
_symmetry_space_group_name_H-M 'C 1 2/c 1'
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,-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
K   0.00000   0.09010   0.25000   0.07500
Al1   0.44320   0.26350   0.13650   0.01100
Al2   0.25860   0.08280   0.00680   0.02700
Si   0.48250   0.92970   0.13700   0.02200
O1   0.46230   0.91940   0.05050   0.01500
O2   0.38350   0.26650   0.06630   0.04700
O3   0.42590   0.10390   0.15300   0.01200
O4   0.22260   0.83680   0.16850   0.04100
O5   0.27350   0.37220   0.16780   0.08000
O6   0.40800   0.56710   0.04540   0.05300