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#$Date: 2014-07-15 10:24:50 +0300 (Tue, 15 Jul 2014) $
#$Revision: 120380 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/06/9000643.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_9000643
loop_
_publ_author_name
'Mazzi, F.'
'Galli, E.'
_publ_section_title
;
 Is each analcime different?
 ANA 2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              448
_journal_page_last               460
_journal_volume                  63
_journal_year                    1978
_cell_formula_units_Z            8
_chemical_formula_sum            'Al1.68 H4 Na1.85 O14 Si4.32'
_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                   13.727
_cell_length_b                   13.727
_cell_length_c                   13.686
_cell_volume                     2578.860
_exptl_crystal_density_diffrn    2.245
_[local]_cod_cif_authors_sg_H-M  'I 41/a c d'
_[local]_cod_chemical_formula_sum_orig 'Al1.68 Si4.32 Na1.85 O14 H2.668'
_cod_database_code               9000643
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 0.12640 0.16180 0.41170 0.42000 0.01330 .
Si1 Si 0.12640 0.16180 0.41170 0.58000 0.01330 .
Si2 Si 0.16320 0.41320 0.12500 1.00000 0.01241 .
Na1 Na 0.12420 0.00000 0.25000 0.84000 0.03496 .
Na2 Na 0.00000 0.25000 0.12500 0.17000 0.03648 .
O1 O 0.10550 0.37120 0.21910 1.00000 0.03344 .
O2 O 0.22110 0.10270 0.36380 1.00000 0.02761 .
O3 O 0.36340 0.21900 0.10560 1.00000 0.02812 .
Wat O 0.11940 0.13060 0.12500 1.00000 0.07966 2