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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/99/9009955.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_9009955
loop_
_publ_author_name
'Yokomori, Y.'
'Idaka, S.'
_publ_section_title
;
 The crystal structure of analcime
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              365
_journal_page_last               370
_journal_paper_doi               10.1016/S1387-1811(98)00019-5
_journal_volume                  21
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 H4 Na1.862 O13.667 Si4'
_chemical_name_mineral           Analcime
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                109.51
_cell_angle_beta                 109.51
_cell_angle_gamma                109.51
_cell_length_a                   11.909
_cell_length_b                   11.909
_cell_length_c                   11.909
_cell_volume                     1298.311
_database_code_amcsd             0014403
_exptl_crystal_density_diffrn    2.209
_cod_original_cell_volume        1298.312
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Na1.862 (Al2 Si4) O13.667 H4'
_cod_database_code               9009955
loop_
_space_group_symop_operation_xyz
x,y,z
-z,-x,-y
y,z,x
-x,-y,-z
z,x,y
-y,-z,-x
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
Na1 0.62500 0.87510 0.75020 0.63500 0.03787
Na2 0.62510 0.24990 0.87510 0.60600 0.03610
Al1 0.71272 0.42528 0.46262 0.33333 0.01418
Si1 0.71272 0.42528 0.46262 0.66667 0.01418
Al2 0.74995 0.28724 0.21274 0.33333 0.01418
Si2 0.74995 0.28724 0.21274 0.66667 0.01418
Al3 0.78713 0.03707 0.07435 0.33333 0.01418
Si3 0.78713 0.03707 0.07435 0.66667 0.01418
Al4 0.53716 0.74983 0.96266 0.33333 0.01406
Si4 0.53716 0.74983 0.96266 0.66667 0.01406
O1 0.67600 0.52950 0.41430 1.00000 0.03192
O2 0.85410 0.52960 0.61500 1.00000 0.03128
O3 0.73910 0.32390 0.35350 1.00000 0.03065
O4 0.76080 0.14600 0.17540 1.00000 0.03217
O5 0.61500 0.26090 0.08530 1.00000 0.03027
O6 0.64650 0.88500 -0.03000 1.00000 0.03116
O7 0.91490 0.02960 0.17590 1.00000 0.03141
O8 0.58550 0.76180 0.11560 1.00000 0.03242
Wat1 0.75000 0.75000 0.75000 0.33333 0.08524
Wat2 0.49930 -0.00030 0.74970 1.00000 0.08612
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014403