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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/9/00/20/9002000.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_9002000
loop_
_publ_author_name
'Cruciani, G.'
'Gualtieri, A.'
_publ_section_title
;
 Dehydration dynamics of analcime by in situ synchrotron powder diffraction
 Sample at T = 298 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              112
_journal_page_last               119
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al1.9 H4 Na1.95 O14 Si4.1'
_chemical_name_mineral           Analcime
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.7295
_cell_length_b                   13.7295
_cell_length_c                   13.7036
_cell_volume                     2583.117
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    2.259
_[local]_cod_cif_authors_sg_H-M  'I 41/a c d'
_[local]_cod_chemical_formula_sum_orig '(Si4.1 Al1.9) Na1.95 O14 H4'
_cod_database_code               9002000
_amcsd_database_code             AMCSD#0002061
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/4-y,3/4-x,3/4+z
3/4-y,1/4-x,1/4+z
1/4+y,3/4+x,3/4-z
3/4+y,1/4+x,1/4-z
1/4+y,3/4-x,1/4-z
3/4+y,1/4-x,3/4-z
1/4-y,3/4+x,1/4+z
3/4-y,1/4+x,3/4+z
1/2+x,-y,z
+x,1/2-y,1/2+z
1/2-x,y,-z
-x,1/2+y,1/2-z
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
1/4+y,1/4+x,1/4+z
3/4+y,3/4+x,3/4+z
1/4-y,1/4-x,1/4-z
3/4-y,3/4-x,3/4-z
1/4-y,1/4+x,3/4-z
3/4-y,3/4+x,1/4-z
1/4+y,1/4-x,3/4+z
3/4+y,3/4-x,1/4+z
-x,y,1/2+z
1/2-x,1/2+y,+z
x,-y,1/2-z
1/2+x,1/2-y,-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Si1 0.12430 0.16090 0.41410 0.57500 0.03800
Al1 0.12430 0.16090 0.41410 0.42500 0.03800
Si2 0.16190 0.41190 0.12500 0.90000 0.03900
Al2 0.16190 0.41190 0.12500 0.10000 0.03900
Na1 0.13430 0.00000 0.25000 0.86000 0.08300
Na2 0.00000 0.25000 0.12500 0.23000 0.08300
O1 0.09900 0.37340 0.21880 1.00000 0.02400
O2 0.22190 0.11200 0.36270 1.00000 0.05500
O3 0.35820 0.21790 0.10520 1.00000 0.03800
Wat 0.11650 0.13350 0.12500 1.00000 0.06900