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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000647.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_9000647
loop_
_publ_author_name
'Mazzi, F.'
'Galli, E.'
_publ_section_title
;
 Is each analcime different?
 ANA 6
;
_journal_name_full               'American Mineralogist'
_journal_page_first              448
_journal_page_last               460
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Al1.98 H4 Na1.99 O14 Si4.02'
_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                   13.721
_cell_length_b                   13.721
_cell_length_c                   13.735
_cell_volume                     2585.831
_exptl_crystal_density_diffrn    2.261
_[local]_cod_cif_authors_sg_H-M  'I 41/a c d'
_[local]_cod_chemical_formula_sum_orig '(Si4.02 Al1.98) Na1.99 O14 H4'
_cod_database_code               9000647
_amcsd_database_code             AMCSD#0000658
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
Si1 0.12440 0.16240 0.41240 0.73000 0.01051
Al1 0.12440 0.16240 0.41240 0.27000 0.01051
Si2 0.16230 0.41230 0.12500 0.55000 0.01039
Al2 0.16230 0.41230 0.12500 0.45000 0.01039
Na1 0.12520 0.00000 0.25000 0.61000 0.03255
Na2 0.00000 0.25000 0.12500 0.77000 0.03635
O1 0.10380 0.36400 0.22000 1.00000 0.02938
O2 0.21850 0.10460 0.36660 1.00000 0.02951
O3 0.36630 0.22020 0.10480 1.00000 0.02989
Wat 0.12560 0.12440 0.12500 1.00000 0.08270