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#$Date: 2023-11-12 12:37:04 +0200 (Sun, 12 Nov 2023) $
#$Revision: 287555 $
#$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_formula_units_Z            8
_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
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        '(Si4.1 Al1.9) Na1.95 O14 H4'
_cod_database_code               9002000
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_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
Si1 Si 0.12430 0.16090 0.41410 0.57500 0.03800 . 32 g
Al1 Al 0.12430 0.16090 0.41410 0.42500 0.03800 . 32 g
Si2 Si 0.16190 0.41190 0.12500 0.90000 0.03900 . 16 f
Al2 Al 0.16190 0.41190 0.12500 0.10000 0.03900 . 16 f
Na1 Na 0.13430 0.00000 0.25000 0.86000 0.08300 . 16 e
Na2 Na 0.00000 0.25000 0.12500 0.23000 0.08300 . 8 b
O1 O 0.09900 0.37340 0.21880 1.00000 0.02400 . 32 g
O2 O 0.22190 0.11200 0.36270 1.00000 0.05500 . 32 g
O3 O 0.35820 0.21790 0.10520 1.00000 0.03800 . 32 g
Wat O 0.11650 0.13350 0.12500 1.00000 0.06900 2 16 f
_database_code_amcsd 0002062
