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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/9/9000648.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_9000648
loop_
_publ_author_name
'Mazzi, F.'
'Galli, E.'
_publ_section_title
;
 Is each analcime different?
 ANA 7
;
_journal_name_full               'American Mineralogist'
_journal_page_first              448
_journal_page_last               460
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Al1.98 H2 Na2.01 O14 Si4.02'
_chemical_name_mineral           Analcime
_space_group_IT_number           73
_symmetry_space_group_name_Hall  '-I 2b 2c'
_symmetry_space_group_name_H-M   'I b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.727
_cell_length_b                   13.714
_cell_length_c                   13.740
_cell_volume                     2586.584
_exptl_crystal_density_diffrn    2.252
_[local]_cod_chemical_formula_sum_orig '(Si4.02 Al1.98) Na2.01 O14 H2'
_cod_original_cell_volume        2586.583
_cod_database_code               9000648
_amcsd_database_code             AMCSD#0000659
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,1/2-y,1/2+z
1/2+x,-y,+z
-x,1/2+y,1/2-z
1/2-x,+y,-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,1/2+y,-z
1/2+x,+y,1/2-z
-x,1/2-y,z
1/2-x,-y,1/2+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
Si11 0.12400 0.16210 0.41250 0.70000 0.01127
Al11 0.12400 0.16210 0.41250 0.30000 0.01127
Si12 0.41240 0.12540 0.16260 0.81000 0.01102
Al12 0.41240 0.12540 0.16260 0.19000 0.01102
Si2 0.16220 0.41230 0.12540 0.50000 0.01102
Al2 0.16220 0.41230 0.12540 0.50000 0.01102
Na11 0.12570 0.00000 0.25000 0.69000 0.03698
Na12 0.25000 0.12480 0.00000 0.52000 0.03192
Na2 0.00000 0.25000 0.12460 0.80000 0.03648
O11 0.10390 0.36320 0.22060 1.00000 0.02710
O12 0.38610 0.14590 0.46980 1.00000 0.02710
O21 0.21810 0.10460 0.36580 1.00000 0.02748
O22 0.14500 0.46820 0.38250 1.00000 0.02786
O31 0.36760 0.21970 0.10470 1.00000 0.02875
O32 0.47040 0.38450 0.14590 1.00000 0.02812
Wat 0.12710 0.12390 0.12380 1.00000 0.07637