#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9010485.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_9010485
loop_
_publ_author_name
'Wang, H.'
'Bish, D. L.'
_publ_section_title
;
 A PH2O-dependent structural phase transition in the zeolite natrolite
 Sample: alpha2-metanatrolite at 400 C, 0.15 mbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1191
_journal_page_last               1194
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al2 Na2 O10 Si3'
_chemical_name_mineral           Natrolite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.574
_cell_length_b                   18.161
_cell_length_c                   6.3674
_cell_volume                     2032.228
_[local]_cod_data_source_file    04614.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'Si3 Al2 Na2 O10'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
1/4+x,1/4-y,1/4+z
1/4+x,3/4-y,3/4+z
3/4+x,1/4-y,3/4+z
3/4+x,3/4-y,1/4+z
1/4-x,1/4+y,1/4+z
1/4-x,3/4+y,3/4+z
3/4-x,1/4+y,3/4+z
3/4-x,3/4+y,1/4+z
-x,1/2-y,1/2+z
-x,-y,+z
1/2-x,1/2-y,+z
1/2-x,-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 0.00000 0.00000 0.00000 1.00000 0.00900
Si2 0.14480 0.21890 0.62300 1.00000 0.00900
Al 0.03390 0.09900 0.60600 1.00000 0.00900
Na11 0.00500 0.19800 0.74200 0.41000 0.05100
Na12 0.20700 0.05100 0.26400 0.59000 0.95100
O1 0.03250 0.06730 0.86100 1.00000 0.02000
O2 0.05720 0.19200 0.61100 1.00000 0.02000
O3 0.10200 0.05130 0.46800 1.00000 0.02000
O4 0.19390 0.16020 0.75700 1.00000 0.02000
O5 0.17980 0.22040 0.38900 1.00000 0.02000
_cod_database_code 9010485