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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/9/00/06/9000646.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_9000646
loop_
_publ_author_name
'Mazzi, F.'
'Galli, E.'
_publ_section_title
;
 Is each analcime different?
 ANA 5
;
_journal_name_full               'American Mineralogist'
_journal_page_first              448
_journal_page_last               460
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Al2 H4 Na2.04 O14 Si4'
_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                   13.728
_cell_length_b                   13.728
_cell_length_c                   13.722
_cell_volume                     2586.020
_exptl_crystal_density_diffrn    2.267
_cod_original_cell_volume        2586.021
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        '(Al2 Si4) Na2.04 O14 H4'
_cod_database_code               9000646
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
Al1 Al 0.12510 0.16230 0.41220 0.35000 0.01115 .
Si1 Si 0.12510 0.16230 0.41220 0.65000 0.01115 .
Si2 Si 0.16240 0.41240 0.12500 0.70000 0.01051 .
Al2 Al 0.16240 0.41240 0.12500 0.30000 0.01051 .
Na1 Na 0.12480 0.00000 0.25000 0.73000 0.03977 .
Na2 Na 0.00000 0.25000 0.12500 0.58000 0.03546 .
O1 O 0.10440 0.36650 0.21940 1.00000 0.02913 .
O2 O 0.21960 0.10410 0.36490 1.00000 0.02964 .
O3 O 0.36540 0.21940 0.10430 1.00000 0.02824 .
Wat O 0.12380 0.12620 0.12500 1.00000 0.08346 2
_database_code_amcsd 0000658
