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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/9/00/06/9000646.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_length_a                   13.728
_cell_length_b                   13.728
_cell_length_c                   13.722
_cell_volume                     2586.020
_exptl_crystal_density_diffrn    2.267
_[local]_cod_cif_authors_sg_H-M  'I 41/a c d'
_[local]_cod_chemical_formula_sum_orig '(Al2 Si4) Na2.04 O14 H4'
_cod_original_cell_volume        2586.021
_cod_database_code               9000646
_amcsd_database_code             AMCSD#0000657
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
Al1 0.12510 0.16230 0.41220 0.35000 0.01115
Si1 0.12510 0.16230 0.41220 0.65000 0.01115
Si2 0.16240 0.41240 0.12500 0.70000 0.01051
Al2 0.16240 0.41240 0.12500 0.30000 0.01051
Na1 0.12480 0.00000 0.25000 0.73000 0.03977
Na2 0.00000 0.25000 0.12500 0.58000 0.03546
O1 0.10440 0.36650 0.21940 1.00000 0.02913
O2 0.21960 0.10410 0.36490 1.00000 0.02964
O3 0.36540 0.21940 0.10430 1.00000 0.02824
Wat 0.12380 0.12620 0.12500 1.00000 0.08346