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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/92/9009230.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009230
loop_
_publ_author_name
'Bish, D. L.'
'Von Dreele, R. B.'
_publ_section_title
;
 Rietveld refinement of non-hydrogen atomic positions in kaolinite
 Locality: Keokuk, Iowa, USA
 Note: clay
;
_journal_name_full               'Clays and Clay Minerals'
_journal_page_first              289
_journal_page_last               296
_journal_volume                  37
_journal_year                    1989
_chemical_formula_sum            'Al2 H4 O9 Si2'
_chemical_name_mineral           Kaolinite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C 1'
_cell_angle_alpha                91.700
_cell_angle_beta                 104.862
_cell_angle_gamma                89.822
_cell_length_a                   5.1554
_cell_length_b                   8.9448
_cell_length_c                   7.4048
_cell_volume                     329.893
_exptl_crystal_density_diffrn    2.599
_[local]_cod_chemical_formula_sum_orig 'Al2 Si2 O9 H4'
_cod_database_code               9009230
_amcsd_database_code             AMCSD#0011611
loop_
_symmetry_equiv_pos_as_xyz
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
Al1 0.29710 0.49570 0.47210
Al2 0.79260 0.33000 0.46990
Si1 0.99420 0.33930 0.09090
Si2 0.50640 0.16650 0.09130
O1 0.05010 0.35390 0.31700
O2 0.12140 0.66040 0.31750
O3 0.00000 0.50000 0.00000
O4 0.20850 0.23050 0.02470
O5 0.20120 0.76570 0.00320
O-H1 0.05100 0.96980 0.32200
O-H2 0.96490 0.16650 0.60510
O-H3 0.03480 0.47690 0.60800
O-H4 0.03340 0.85700 0.60940