#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000645.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_9000645
loop_
_publ_author_name
'Mazzi, F.'
'Galli, E.'
_publ_section_title
;
 Is each analcime different?
 ANA 4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              448
_journal_page_last               460
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Al1.64 H0.668 Na2.03 O14 Si4.36'
_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                   13.733
_cell_length_b                   13.729
_cell_length_c                   13.712
_cell_volume                     2585.265
_exptl_crystal_density_diffrn    2.251
_[local]_cod_chemical_formula_sum_orig 'Al1.64 Si4.36 Na2.03 O14 H.668'
_cod_database_code               9000645
_amcsd_database_code             AMCSD#0000656
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
Al11 0.12560 0.16240 0.41220 0.44000 0.01102
Si11 0.12560 0.16240 0.41220 0.56000 0.01102
Al12 0.41240 0.12430 0.16230 0.38000 0.01102
Si12 0.41240 0.12430 0.16230 0.62000 0.01102
Si2 0.16250 0.41230 0.12520 1.00000 0.01115
Na11 0.12470 0.00000 0.25000 0.77000 0.03635
Na12 0.25000 0.12520 0.00000 0.74000 0.03686
Na2 0.00000 0.25000 0.12500 0.52000 0.03230
O11 0.10480 0.36760 0.21890 1.00000 0.02824
O12 0.38240 0.14520 0.46860 1.00000 0.02824
O21 0.22070 0.10400 0.36410 1.00000 0.02761
O22 0.14580 0.47040 0.38510 1.00000 0.02824
O31 0.36500 0.21890 0.10430 1.00000 0.02748
O32 0.46910 0.38530 0.14590 1.00000 0.02710
Wat 0.12360 0.12680 0.12520 1.00000 0.07624