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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/11/1541106.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_1541106
loop_
_publ_author_name
'Pechar, F.'
_publ_section_title
;
 An x-ray diffraction refinement of the crystal structure of natural
 orthorhombic analcime ((Na Al Si2 O6) (H2 O))
;
_journal_name_full               Zeolites
_journal_page_first              247
_journal_page_last               249
_journal_volume                  8
_journal_year                    1988
_chemical_formula_sum            'Al0.9999 Na O6 Si1.9998'
_chemical_name_systematic        'Na Al (Si2 O6) (H2 O)'
_space_group_IT_number           73
_symmetry_space_group_name_Hall  '-I 2b 2c'
_symmetry_space_group_name_H-M   'I b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.72
_cell_length_b                   13.715
_cell_length_c                   13.708
_cell_volume                     2579.432
_citation_journal_id_ASTM        ZEOLD3
_cod_data_source_file            Pechar_ZEOLD3_1988_543.cif
_cod_data_source_block           Al0.9999Na1O6Si1.9998
_cod_original_formula_sum        'Al0.9999 Na1 O6 Si1.9998'
_cod_database_code               1541106
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z
x,-y,-z+1/2
-x,y+1/2,-z+1/2
-x,-y,-z
x,y-1/2,-z
-x,y,z-1/2
x,-y-1/2,z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-y,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
O4 O-2 0.1458 0.4704 0.3851 1 0.0
Si2 Si+4 0.0876 0.3757 0.3377 0.6666 0.0
Na3 Na+1 0.1236 0.1268 0.1252 0.5 0.0
Al3 Al+3 0.1625 0.0877 0.6252 0.3333 0.0
Na1 Na+1 0.1247 0 0.25 0.5 0.0
Na2 Na+1 0.25 0.1252 0 0.5 0.0
Si3 Si+4 0.1625 0.0877 0.6252 0.6666 0.0
O2 O-2 0.1176 0.1452 0.5314 1 0.0
O3 O-2 0.2207 0.104 0.3642 1 0.0
O5 O-2 0.135 0.2811 0.3957 1 0.0
O6 O-2 0.0309 0.1147 0.3541 1 0.0
O1 O-2 0.1048 0.3676 0.2189 1 0.0
Si1 Si+4 0.1265 0.1624 0.4122 0.6666 0.0
Al2 Al+3 0.0876 0.3757 0.3377 0.3333 0.0
Al1 Al+3 0.1265 0.1624 0.4122 0.3333 0.0
